CAS RN: 13377-46-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CC2CC1C3C2C3
Structure:
CAS RN: 22389-16-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CC2CC1C3C2C3
Structure:
CAS RN: 13373-97-2
CAS Name: 1-eicosanethiol
OPENEYE Name: icosane-1-thiol
IUPAC Name: icosane-1-thiol
SYSTEMATIC NAME: icosane-1-thiol
MOLECULAR FORMULA: C20H42S
MOLECULAR WEIGHT: 314.61248
SMILES: CCCCCCCCCCCCCCCCCCCCS
Structure:
CAS RN: 13361-35-8
CAS Name: 2-chloroacetic acid 2-methylpropyl ester
OPENEYE Name: isobutyl 2-chloroacetate
IUPAC Name: 2-methylpropyl 2-chloroacetate
SYSTEMATIC NAME: 2-methylpropyl 2-chloranylethanoate
MOLECULAR FORMULA: C6H11ClO2
MOLECULAR WEIGHT: 150.60334
SMILES: CC(C)COC(=O)CCl
Structure:
CAS RN: 13358-76-4
CAS Name: 5,5-dimethyl-3-(1-piperidinyl)-1-cyclohex-2-enone
OPENEYE Name: 5,5-dimethyl-3-(1-piperidyl)cyclohex-2-en-1-one
IUPAC Name: 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-3-piperidin-1-yl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H21NO
MOLECULAR WEIGHT: 207.31194
SMILES: CC1(CC(=CC(=O)C1)N2CCCCC2)C
Structure:
CAS RN: 13358-02-6
CAS Name: 3-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
OPENEYE Name: 3-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
IUPAC Name: 3-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: 3-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C11H8N4
MOLECULAR WEIGHT: 196.20802
SMILES: CC1C=CCC(C1(C#N)C#N)(C#N)C#N
Structure:
CAS RN: 13356-21-3
CAS Name: tetrakis(2,2-dimethylpropyl)stannane
OPENEYE Name: tetrakis(2,2-dimethylpropyl)stannane
IUPAC Name: tetrakis(2,2-dimethylpropyl)stannane
SYSTEMATIC NAME: tetrakis(2,2-dimethylpropyl)stannane
MOLECULAR FORMULA: C20H44Sn
MOLECULAR WEIGHT: 403.27336
SMILES: CC(C)(C)C[Sn](CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C
Structure:
CAS RN: 13351-29-6
CAS Name: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
OPENEYE Name: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
IUPAC Name: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
SYSTEMATIC NAME: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC12CCCCC1CC(=O)C2
Structure:
CAS RN: 20379-99-1
CAS Name: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
OPENEYE Name: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
IUPAC Name: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
SYSTEMATIC NAME: 7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC12CCCCC1CC(=O)C2
Structure:
CAS RN: 13350-64-6
CAS Name: 9-thiabicyclo[4.2.1]non-7-ene
OPENEYE Name: 9-thiabicyclo[4.2.1]non-7-ene
IUPAC Name: 9-thiabicyclo[4.2.1]non-7-ene
SYSTEMATIC NAME: 9-thiabicyclo[4.2.1]non-7-ene
MOLECULAR FORMULA: C8H12S
MOLECULAR WEIGHT: 140.24588
SMILES: C1CCC2C=CC(C1)S2
Structure:
CAS RN: 13349-82-1
CAS Name: 2-[2-(1-piperazinyl)ethoxy]ethanol
OPENEYE Name: 2-(2-piperazin-1-ylethoxy)ethanol
IUPAC Name: 2-(2-piperazin-1-ylethoxy)ethanol
SYSTEMATIC NAME: 2-(2-piperazin-1-ylethoxy)ethanol
MOLECULAR FORMULA: C8H18N2O2
MOLECULAR WEIGHT: 174.24072
SMILES: C1CN(CCN1)CCOCCO
Structure:
CAS RN: 13343-26-5
CAS Name: 1-chloro-4-(phenylthio)benzene
OPENEYE Name: 1-chloro-4-phenylsulfanyl-benzene
IUPAC Name: 1-chloro-4-phenylsulfanylbenzene
SYSTEMATIC NAME: 1-chloranyl-4-phenylsulfanyl-benzene
MOLECULAR FORMULA: C12H9ClS
MOLECULAR WEIGHT: 220.71786
SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)Cl
Structure:
CAS RN: 13337-79-6
CAS Name: 1-ethyl-2-pyridinone
OPENEYE Name: 1-ethylpyridin-2-one
IUPAC Name: 1-ethylpyridin-2-one
SYSTEMATIC NAME: 1-ethylpyridin-2-one
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CCN1C=CC=CC1=O
Structure:
CAS RN: 13337-33-2
CAS Name: 1-dichlorophosphoryl-3-methylbuta-1,2-diene
OPENEYE Name: 1-dichlorophosphoryl-3-methyl-buta-1,2-diene
IUPAC Name: 1-dichlorophosphoryl-3-methylbuta-1,2-diene
SYSTEMATIC NAME: 1-bis(chloranyl)phosphoryl-3-methyl-buta-1,2-diene
MOLECULAR FORMULA: C5H7Cl2OP
MOLECULAR WEIGHT: 184.988241
SMILES: CC(=C=CP(=O)(Cl)Cl)C
Structure:
CAS RN: 13328-30-8
CAS Name: N-[dichloro(dimethylamino)silyl]-N-methylmethanamine
OPENEYE Name: N-[dichloro(dimethylamino)silyl]-N-methyl-methanamine
IUPAC Name: N-[dichloro(dimethylamino)silyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[bis(chloranyl)-(dimethylamino)silyl]-N-methyl-methanamine
MOLECULAR FORMULA: C4H12Cl2N2Si
MOLECULAR WEIGHT: 187.14298
SMILES: CN(C)[Si](N(C)C)(Cl)Cl
Structure:
CAS RN: 13314-98-2
CAS Name: 1-[(2-methylanilino)methyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[(2-methylanilino)methyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[(2-methylanilino)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[[(2-methylphenyl)amino]methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1=CC=CC=C1NCN2C(=O)CCC2=O
Structure:
CAS RN: 13313-91-2
CAS Name: 2,2,2-trichloroacetic acid propyl ester
OPENEYE Name: propyl 2,2,2-trichloroacetate
IUPAC Name: propyl 2,2,2-trichloroacetate
SYSTEMATIC NAME: propyl 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C5H7Cl3O2
MOLECULAR WEIGHT: 205.46688
SMILES: CCCOC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 13307-04-5
CAS Name: N-methyl-N-trichlorosilylmethanamine
OPENEYE Name: N-methyl-N-trichlorosilyl-methanamine
IUPAC Name: N-methyl-N-trichlorosilylmethanamine
SYSTEMATIC NAME: N-methyl-N-tris(chloranyl)silyl-methanamine
MOLECULAR FORMULA: C2H6Cl3NSi
MOLECULAR WEIGHT: 178.52024
SMILES: CN(C)[Si](Cl)(Cl)Cl
Structure:
CAS RN: 13304-62-6
CAS Name: N-(phenylmethyl)-2-propenamide
OPENEYE Name: N-benzylprop-2-enamide
IUPAC Name: N-benzylprop-2-enamide
SYSTEMATIC NAME: N-(phenylmethyl)prop-2-enamide
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C=CC(=O)NCC1=CC=CC=C1
Structure:
CAS RN: 13303-30-5
CAS Name: 1,1,2,2-tetramethyl-3-(2-methylprop-1-enylidene)cyclopropane
OPENEYE Name: 1,1,2,2-tetramethyl-3-(2-methylprop-1-enylidene)cyclopropane
IUPAC Name: 1,1,2,2-tetramethyl-3-(2-methylprop-1-enylidene)cyclopropane
SYSTEMATIC NAME: 1,1,2,2-tetramethyl-3-(2-methylprop-1-enylidene)cyclopropane
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CC(=C=C1C(C1(C)C)(C)C)C
Structure:
CAS RN: 13294-73-0
CAS Name: 1-tert-butyl-4-methylenecyclohexane
OPENEYE Name: 1-tert-butyl-4-methylene-cyclohexane
IUPAC Name: 1-tert-butyl-4-methylidenecyclohexane
SYSTEMATIC NAME: 1-tert-butyl-4-methylidene-cyclohexane
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CC(C)(C)C1CCC(=C)CC1
Structure:
CAS RN: 13294-24-1
CAS Name: bis[bis(trimethylsilyl)methyl]mercury
OPENEYE Name: bis[bis(trimethylsilyl)methyl]mercury
IUPAC Name: bis[bis(trimethylsilyl)methyl]mercury
SYSTEMATIC NAME: bis[bis(trimethylsilyl)methyl]mercury
MOLECULAR FORMULA: C14H38HgSi4
MOLECULAR WEIGHT: 519.38352
SMILES: C[Si](C)(C)C([Si](C)(C)C)[Hg]C([Si](C)(C)C)[Si](C)(C)C
Structure:
CAS RN: 13278-12-1
CAS Name: 2-(4-tert-butyl-1-hydroxycyclohexyl)acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(4-tert-butyl-1-hydroxy-cyclohexyl)acetate
IUPAC Name: tert-butyl 2-(4-tert-butyl-1-hydroxycyclohexyl)acetate
SYSTEMATIC NAME: tert-butyl 2-(4-tert-butyl-1-oxidanyl-cyclohexyl)ethanoate
MOLECULAR FORMULA: C16H30O3
MOLECULAR WEIGHT: 270.4076
SMILES: CC(C)(C)C1CCC(CC1)(CC(=O)OC(C)(C)C)O
Structure:
CAS RN: 13278-11-0
CAS Name: 2-(1-hydroxy-3,3,5-trimethylcyclohexyl)acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(1-hydroxy-3,3,5-trimethyl-cyclohexyl)acetate
IUPAC Name: tert-butyl 2-(1-hydroxy-3,3,5-trimethylcyclohexyl)acetate
SYSTEMATIC NAME: tert-butyl 2-(3,3,5-trimethyl-1-oxidanyl-cyclohexyl)ethanoate
MOLECULAR FORMULA: C15H28O3
MOLECULAR WEIGHT: 256.38102
SMILES: CC1CC(CC(C1)(CC(=O)OC(C)(C)C)O)(C)C
Structure:
CAS RN: 13271-69-7
CAS Name: ethyl-(2-furanyl)-methylsilane
OPENEYE Name: ethyl-(2-furyl)-methyl-silane
IUPAC Name: ethyl-(furan-2-yl)-methylsilane
SYSTEMATIC NAME: ethyl-(furan-2-yl)-methyl-silane
MOLECULAR FORMULA: C7H12OSi
MOLECULAR WEIGHT: 140.25508
SMILES: CC[SiH](C)C1=CC=CO1
Structure:
CAS RN: 13271-68-6
CAS Name: 2-furanyl(dimethyl)silane
OPENEYE Name: 2-furyl(dimethyl)silane
IUPAC Name: furan-2-yl(dimethyl)silane
SYSTEMATIC NAME: furan-2-yl(dimethyl)silane
MOLECULAR FORMULA: C6H10OSi
MOLECULAR WEIGHT: 126.2285
SMILES: C[SiH](C)C1=CC=CO1
Structure:
CAS RN: 13271-67-5
CAS Name: diethyl(2-furanyl)silane
OPENEYE Name: diethyl(2-furyl)silane
IUPAC Name: diethyl(furan-2-yl)silane
SYSTEMATIC NAME: diethyl(furan-2-yl)silane
MOLECULAR FORMULA: C8H14OSi
MOLECULAR WEIGHT: 154.28166
SMILES: CC[SiH](CC)C1=CC=CO1
Structure:
CAS RN: 13271-49-3
CAS Name: 3-bromo-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-bromo-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-bromo-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-bromanyl-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C8H11BrO
MOLECULAR WEIGHT: 203.07634
SMILES: CC1(CC(=CC(=O)C1)Br)C
Structure:
CAS RN: 13250-88-9
CAS Name: 1-methyl-4-[[(4-methylphenyl)methylthio]methyl]benzene
OPENEYE Name: 1-methyl-4-(p-tolylmethylsulfanylmethyl)benzene
IUPAC Name: 1-methyl-4-[(4-methylphenyl)methylsulfanylmethyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[(4-methylphenyl)methylsulfanylmethyl]benzene
MOLECULAR FORMULA: C16H18S
MOLECULAR WEIGHT: 242.37912
SMILES: CC1=CC=C(C=C1)CSCC2=CC=C(C=C2)C
Structure:
CAS RN: 13228-41-6
CAS Name: 2-propyl-1H-indole
OPENEYE Name: 2-propyl-1H-indole
IUPAC Name: 2-propyl-1H-indole
SYSTEMATIC NAME: 2-propyl-1H-indole
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CCCC1=CC2=CC=CC=C2N1
Structure:
CAS RN: 13228-22-3
CAS Name: bis(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methanone
OPENEYE Name: bis(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methanone
IUPAC Name: bis(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: bis(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C17H24N2O
MOLECULAR WEIGHT: 272.38526
SMILES: CCC1=C(NC(=C1C)C(=O)C2=C(C(=C(N2)C)CC)C)C
Structure:
CAS RN: 13222-85-0
CAS Name: 4-methylbenzoic acid [(4-methylphenyl)-oxomethyl] ester
OPENEYE Name: (4-methylbenzoyl) 4-methylbenzoate
IUPAC Name: (4-methylbenzoyl) 4-methylbenzoate
SYSTEMATIC NAME: (4-methylphenyl)carbonyl 4-methylbenzoate
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 13222-45-2
CAS Name: 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)penta-2,3-diene
OPENEYE Name: 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)penta-2,3-diene
IUPAC Name: 1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)penta-2,3-diene
SYSTEMATIC NAME: 1,1,1,5,5,5-hexakis(fluoranyl)-2,4-bis(trifluoromethyl)penta-2,3-diene
MOLECULAR FORMULA: C7F12
MOLECULAR WEIGHT: 312.055738
SMILES: C(=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 13214-58-9
CAS Name: 1-fluoro-1,1-dinitroethane
OPENEYE Name: 1-fluoro-1,1-dinitro-ethane
IUPAC Name: 1-fluoro-1,1-dinitroethane
SYSTEMATIC NAME: 1-fluoranyl-1,1-dinitro-ethane
MOLECULAR FORMULA: C2H3FN2O4
MOLECULAR WEIGHT: 138.054623
SMILES: CC([N+](=O)[O-])([N+](=O)[O-])F
Structure:
CAS RN: 13208-31-6
CAS Name: 1,3-bis(3-chlorophenyl)urea
OPENEYE Name: 1,3-bis(3-chlorophenyl)urea
IUPAC Name: 1,3-bis(3-chlorophenyl)urea
SYSTEMATIC NAME: 1,3-bis(3-chlorophenyl)urea
MOLECULAR FORMULA: C13H10Cl2N2O
MOLECULAR WEIGHT: 281.1373
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 13203-39-9
CAS Name: 1-(2-isothiocyanatoethyl)-4-methylbenzene
OPENEYE Name: 1-(2-isothiocyanatoethyl)-4-methyl-benzene
IUPAC Name: 1-(2-isothiocyanatoethyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(2-isothiocyanatoethyl)-4-methyl-benzene
MOLECULAR FORMULA: C10H11NS
MOLECULAR WEIGHT: 177.26604
SMILES: CC1=CC=C(C=C1)CCN=C=S
Structure:
CAS RN: 13183-68-1
CAS Name: 2-methyl-2-protiopropane
OPENEYE Name: 2-methyl-2-protio-propane
IUPAC Name: 2-methyl-2-protiopropane
SYSTEMATIC NAME: 2-methyl-2-protio-propane
MOLECULAR FORMULA: C4H10
MOLECULAR WEIGHT: 58.122085
SMILES: [1H]C(C)(C)C
Structure:
CAS RN: 13180-39-7
CAS Name: 1,3,4,5,6,7,8-heptafluoroisoquinoline
OPENEYE Name: 1,3,4,5,6,7,8-heptafluoroisoquinoline
IUPAC Name: 1,3,4,5,6,7,8-heptafluoroisoquinoline
SYSTEMATIC NAME: 1,3,4,5,6,7,8-heptakis(fluoranyl)isoquinoline
MOLECULAR FORMULA: C9F7N
MOLECULAR WEIGHT: 255.091822
SMILES: C12=C(C(=C(C(=C1F)F)F)F)C(=NC(=C2F)F)F
Structure:
CAS RN: 13180-38-6
CAS Name: 2,3,4,5,6,7,8-heptafluoroquinoline
OPENEYE Name: 2,3,4,5,6,7,8-heptafluoroquinoline
IUPAC Name: 2,3,4,5,6,7,8-heptafluoroquinoline
SYSTEMATIC NAME: 2,3,4,5,6,7,8-heptakis(fluoranyl)quinoline
MOLECULAR FORMULA: C9F7N
MOLECULAR WEIGHT: 255.091822
SMILES: C12=C(C(=C(C(=C1F)F)F)F)N=C(C(=C2F)F)F
Structure:
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