CAS RN: 36012-52-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C1CC2CC1C3C2C4CC3C=C4
Structure:
CAS RN: 1075-89-4
CAS Name: 8-azaspiro[4.5]decane-7,9-dione
OPENEYE Name: 8-azaspiro[4.5]decane-7,9-dione
IUPAC Name: 8-azaspiro[4.5]decane-7,9-dione
SYSTEMATIC NAME: 8-azaspiro[4.5]decane-7,9-dione
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: C1CCC2(C1)CC(=O)NC(=O)C2
Structure:
CAS RN: 1075-16-7
CAS Name: 6,7,8,9-tetrahydro-5H-benzo[7]annulene
OPENEYE Name: 6,7,8,9-tetrahydro-5H-benzo[7]annulene
IUPAC Name: 6,7,8,9-tetrahydro-5H-benzo[7]annulene
SYSTEMATIC NAME: 6,7,8,9-tetrahydro-5H-benzo[7]annulene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: C1CCC2=CC=CC=C2CC1
Structure:
CAS RN: 1074-51-7
CAS Name: cyclooctanone oxime
OPENEYE Name: cyclooctanone oxime
IUPAC Name: N-cyclooctylidenehydroxylamine
SYSTEMATIC NAME: N-cyclooctylidenehydroxylamine
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: C1CCCC(=NO)CCC1
Structure:
CAS RN: 1073-98-9
CAS Name: 1,2,3,4,5-pentamethylpentaphospholane
OPENEYE Name: 1,2,3,4,5-pentamethylpentaphospholane
IUPAC Name: 1,2,3,4,5-pentamethylpentaphospholane
SYSTEMATIC NAME: 1,2,3,4,5-pentamethyl-1,2,3,4,5-pentaphospholane
MOLECULAR FORMULA: C5H15P5
MOLECULAR WEIGHT: 230.041405
SMILES: CP1P(P(P(P1C)C)C)C
Structure:
CAS RN: 1073-13-8
CAS Name: 4,4-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 4,4-dimethylcyclohex-2-en-1-one
IUPAC Name: 4,4-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 4,4-dimethylcyclohex-2-en-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1(CCC(=O)C=C1)C
Structure:
CAS RN: 1072-70-4
CAS Name: 5-methyl-2-oxazolidinone
OPENEYE Name: 5-methyloxazolidin-2-one
IUPAC Name: 5-methyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-methyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C4H7NO2
MOLECULAR WEIGHT: 101.10388
SMILES: CC1CNC(=O)O1
Structure:
CAS RN: 1072-68-0
CAS Name: 1,4-dimethylpyrazole
OPENEYE Name: 1,4-dimethylpyrazole
IUPAC Name: 1,4-dimethylpyrazole
SYSTEMATIC NAME: 1,4-dimethylpyrazole
MOLECULAR FORMULA: C5H8N2
MOLECULAR WEIGHT: 96.13042
SMILES: CC1=CN(N=C1)C
Structure:
CAS RN: 1072-59-9
CAS Name: 1-methoxycyclopentene
OPENEYE Name: 1-methoxycyclopentene
IUPAC Name: 1-methoxycyclopentene
SYSTEMATIC NAME: 1-methoxycyclopentene
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: COC1=CCCC1
Structure:
CAS RN: 1072-54-4
CAS Name: 1,1-dimethylsilolane
OPENEYE Name: 1,1-dimethylsilolane
IUPAC Name: 1,1-dimethylsilolane
SYSTEMATIC NAME: 1,1-dimethylsilolane
MOLECULAR FORMULA: C6H14Si
MOLECULAR WEIGHT: 114.26086
SMILES: C[Si]1(CCCC1)C
Structure:
CAS RN: 1072-20-4
CAS Name: octa-2,4,6-triyne
OPENEYE Name: octa-2,4,6-triyne
IUPAC Name: octa-2,4,6-triyne
SYSTEMATIC NAME: octa-2,4,6-triyne
MOLECULAR FORMULA: C8H6
MOLECULAR WEIGHT: 102.13324
SMILES: CC#CC#CC#CC
Structure:
CAS RN: 1070-76-4
CAS Name: 2-silylethynylsilane
OPENEYE Name: 2-silylethynylsilane
IUPAC Name: 2-silylethynylsilane
SYSTEMATIC NAME: 2-silanylethynylsilane
MOLECULAR FORMULA: C2H6Si2
MOLECULAR WEIGHT: 86.24004
SMILES: C(#C[SiH3])[SiH3]
Structure:
CAS RN: 1070-74-2
CAS Name: 1,2-dideuterioethyne
OPENEYE Name: 1,2-dideuterioacetylene
IUPAC Name: 1,2-dideuterioethyne
SYSTEMATIC NAME: 1,2-dideuterioethyne
MOLECULAR FORMULA: C2H2
MOLECULAR WEIGHT: 28.049604
SMILES: [2H]C#C[2H]
Structure:
CAS RN: 1226-77-3
CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,2,2-trichloroacetamide
OPENEYE Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,2,2-trichloro-acetamide
IUPAC Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,2,2-trichloroacetamide
SYSTEMATIC NAME: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,2,2-tris(chloranyl)ethanamide
MOLECULAR FORMULA: C12H13Cl5N2O
MOLECULAR WEIGHT: 378.50942
SMILES: C1=CC(=CC=C1NC(=O)C(Cl)(Cl)Cl)N(CCCl)CCCl
Structure:
CAS RN: 1068-19-5
CAS Name: 4,4-dimethylheptane
OPENEYE Name: 4,4-dimethylheptane
IUPAC Name: 4,4-dimethylheptane
SYSTEMATIC NAME: 4,4-dimethylheptane
MOLECULAR FORMULA: C9H20
MOLECULAR WEIGHT: 128.2551
SMILES: CCCC(C)(C)CCC
Structure:
CAS RN: 1067-09-0
CAS Name: 1,3-dichloro-2-(chloromethyl)-2-methylpropane
OPENEYE Name: 1,3-dichloro-2-(chloromethyl)-2-methyl-propane
IUPAC Name: 1,3-dichloro-2-(chloromethyl)-2-methylpropane
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-(chloromethyl)-2-methyl-propane
MOLECULAR FORMULA: C5H9Cl3
MOLECULAR WEIGHT: 175.48396
SMILES: CC(CCl)(CCl)CCl
Structure:
CAS RN: 3922-27-8
CAS Name: 1,3-dichloro-2-(chloromethyl)-2-methylpropane
OPENEYE Name: 1,3-dichloro-2-(chloromethyl)-2-methyl-propane
IUPAC Name: 1,3-dichloro-2-(chloromethyl)-2-methylpropane
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-(chloromethyl)-2-methyl-propane
MOLECULAR FORMULA: C5H9Cl3
MOLECULAR WEIGHT: 175.48396
SMILES: CC(CCl)(CCl)CCl
Structure:
CAS RN: 1449-64-5
CAS Name: dimethylgermane
OPENEYE Name: dimethylgermane
IUPAC Name: dimethylgermane
SYSTEMATIC NAME: dimethylgermane
MOLECULAR FORMULA: C2H8Ge
MOLECULAR WEIGHT: 104.72492
SMILES: C[GeH2]C
Structure:
CAS RN: 1066-43-9
CAS Name: methyl(triprotio)silane
OPENEYE Name: methyl(triprotio)silane
IUPAC Name: methyl(triprotio)silane
SYSTEMATIC NAME: methyl(triprotio)silane
MOLECULAR FORMULA: CH6Si
MOLECULAR WEIGHT: 46.143495
SMILES: [1H][Si]([1H])([1H])C
Structure:
CAS RN: 1066-27-9
CAS Name: ethynylsilane
OPENEYE Name: ethynylsilane
IUPAC Name: ethynylsilane
SYSTEMATIC NAME: ethynylsilane
MOLECULAR FORMULA: C2H4Si
MOLECULAR WEIGHT: 56.13866
SMILES: C#C[SiH3]
Structure:
CAS RN: 1065-05-0
CAS Name: 2,2,4,4,6,6-hexakis(2,2,2-trifluoroethoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
OPENEYE Name: 2,2,4,4,6,6-hexakis(2,2,2-trifluoroethoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
IUPAC Name: 2,2,4,4,6,6-hexakis(2,2,2-trifluoroethoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 2,2,4,4,6,6-hexakis[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
MOLECULAR FORMULA: C12H12F18N3O6P3
MOLECULAR WEIGHT: 729.132721
SMILES: C(C(F)(F)F)OP1(=NP(=NP(=N1)(OCC(F)(F)F)OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F)OCC(F)(F)F
Structure:
CAS RN: 1055-26-1
CAS Name: 1,2,3-triphenylazulene
OPENEYE Name: 1,2,3-triphenylazulene
IUPAC Name: 1,2,3-triphenylazulene
SYSTEMATIC NAME: 1,2,3-triphenylazulene
MOLECULAR FORMULA: C28H20
MOLECULAR WEIGHT: 356.4584
SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 1033-90-5
CAS Name: 3,7-diphenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
OPENEYE Name: 3,7-diphenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
IUPAC Name: 3,7-diphenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
SYSTEMATIC NAME: 3,7-diphenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
MOLECULAR FORMULA: C17H12S3
MOLECULAR WEIGHT: 312.47218
SMILES: C1=CC=C(C=C1)C2=CC3=S(S2)SC(=C3)C4=CC=CC=C4
Structure:
CAS RN: 1029-96-5
CAS Name: 2,6-diphenyl-4-thiopyranone
OPENEYE Name: 2,6-diphenylthiopyran-4-one
IUPAC Name: 2,6-diphenylthiopyran-4-one
SYSTEMATIC NAME: 2,6-diphenylthiopyran-4-one
MOLECULAR FORMULA: C17H12OS
MOLECULAR WEIGHT: 264.34158
SMILES: C1=CC=C(C=C1)C2=CC(=O)C=C(S2)C3=CC=CC=C3
Structure:
CAS RN: 1026-32-0
CAS Name: 2-(2-acetyl-4-chloro-5-methylphenoxy)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-acetyl-4-chloro-5-methyl-phenoxy)acetate
IUPAC Name: ethyl 2-(2-acetyl-4-chloro-5-methylphenoxy)acetate
SYSTEMATIC NAME: ethyl 2-(4-chloranyl-2-ethanoyl-5-methyl-phenoxy)ethanoate
MOLECULAR FORMULA: C13H15ClO4
MOLECULAR WEIGHT: 270.7088
SMILES: CCOC(=O)COC1=CC(=C(C=C1C(=O)C)Cl)C
Structure:
CAS RN: 1024-47-1
CAS Name: trimethyl-(4-trimethylsilyl-1-naphthalenyl)silane
OPENEYE Name: trimethyl-(4-trimethylsilyl-1-naphthyl)silane
IUPAC Name: trimethyl-(4-trimethylsilylnaphthalen-1-yl)silane
SYSTEMATIC NAME: trimethyl-(4-trimethylsilylnaphthalen-1-yl)silane
MOLECULAR FORMULA: C16H24Si2
MOLECULAR WEIGHT: 272.53276
SMILES: C[Si](C)(C)C1=CC=C(C2=CC=CC=C21)[Si](C)(C)C
Structure:
CAS RN: 1020-87-7
CAS Name: 1,4-bis(2,2-dimethylpropyl)benzene
OPENEYE Name: 1,4-bis(2,2-dimethylpropyl)benzene
IUPAC Name: 1,4-bis(2,2-dimethylpropyl)benzene
SYSTEMATIC NAME: 1,4-bis(2,2-dimethylpropyl)benzene
MOLECULAR FORMULA: C16H26
MOLECULAR WEIGHT: 218.37764
SMILES: CC(C)(C)CC1=CC=C(C=C1)CC(C)(C)C
Structure:
CAS RN: 1020-14-0
CAS Name: 1,4-di(pentan-2-yl)benzene
OPENEYE Name: 1,4-bis(1-methylbutyl)benzene
IUPAC Name: 1,4-di(pentan-2-yl)benzene
SYSTEMATIC NAME: 1,4-di(pentan-2-yl)benzene
MOLECULAR FORMULA: C16H26
MOLECULAR WEIGHT: 218.37764
SMILES: CCCC(C)C1=CC=C(C=C1)C(C)CCC
Structure:
CAS RN: 1016-98-4
CAS Name: 7-methyl-3-phenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
OPENEYE Name: 7-methyl-3-phenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
IUPAC Name: 7-methyl-3-phenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
SYSTEMATIC NAME: 7-methyl-3-phenyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
MOLECULAR FORMULA: C12H10S3
MOLECULAR WEIGHT: 250.4028
SMILES: CC1=CC2=S(S1)SC(=C2)C3=CC=CC=C3
Structure:
CAS RN: 1014-60-4
CAS Name: 1,3-ditert-butylbenzene
OPENEYE Name: 1,3-ditert-butylbenzene
IUPAC Name: 1,3-ditert-butylbenzene
SYSTEMATIC NAME: 1,3-ditert-butylbenzene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
Structure:
CAS RN: 1013-88-3
CAS Name: diphenylmethanimine
OPENEYE Name: diphenylmethanimine
IUPAC Name: diphenylmethanimine
SYSTEMATIC NAME: diphenylmethanimine
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
Structure:
CAS RN: 1013-08-7
CAS Name: 1,2,3,4-tetrahydrophenanthrene
OPENEYE Name: 1,2,3,4-tetrahydrophenanthrene
IUPAC Name: 1,2,3,4-tetrahydrophenanthrene
SYSTEMATIC NAME: 1,2,3,4-tetrahydrophenanthrene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26096
SMILES: C1CCC2=C(C1)C=CC3=CC=CC=C23
Structure:
CAS RN: 73493-69-3
CAS Name: 1,2,3,4-tetrahydrophenanthrene
OPENEYE Name: 1,2,3,4-tetrahydrophenanthrene
IUPAC Name: 1,2,3,4-tetrahydrophenanthrene
SYSTEMATIC NAME: 1,2,3,4-tetrahydrophenanthrene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26096
SMILES: C1CCC2=C(C1)C=CC3=CC=CC=C23
Structure:
CAS RN: 1012-76-6
CAS Name: 1,2-ditert-butylbenzene
OPENEYE Name: 1,2-ditert-butylbenzene
IUPAC Name: 1,2-ditert-butylbenzene
SYSTEMATIC NAME: 1,2-ditert-butylbenzene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: CC(C)(C)C1=CC=CC=C1C(C)(C)C
Structure:
CAS RN: 1010-74-8
CAS Name: 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
OPENEYE Name: 1-isopropyldecalin
IUPAC Name: 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SYSTEMATIC NAME: 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
MOLECULAR FORMULA: C13H24
MOLECULAR WEIGHT: 180.32966
SMILES: CC(C)C1CCCC2C1CCCC2
Structure:
CAS RN: 27193-29-9
CAS Name: 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
OPENEYE Name: 1-isopropyldecalin
IUPAC Name: 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SYSTEMATIC NAME: 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
MOLECULAR FORMULA: C13H24
MOLECULAR WEIGHT: 180.32966
SMILES: CC(C)C1CCCC2C1CCCC2
Structure:
CAS RN: 1009-84-3
CAS Name: N-butyl-6-chloro-3-pyridazinamine
OPENEYE Name: N-butyl-6-chloro-pyridazin-3-amine
IUPAC Name: N-butyl-6-chloropyridazin-3-amine
SYSTEMATIC NAME: N-butyl-6-chloranyl-pyridazin-3-amine
MOLECULAR FORMULA: C8H12ClN3
MOLECULAR WEIGHT: 185.65398
SMILES: CCCCNC1=NN=C(C=C1)Cl
Structure:
CAS RN: 1008-75-9
CAS Name: 3-methyl-5-phenylisoxazole
OPENEYE Name: 3-methyl-5-phenyl-isoxazole
IUPAC Name: 3-methyl-5-phenyl-1,2-oxazole
SYSTEMATIC NAME: 3-methyl-5-phenyl-1,2-oxazole
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=NOC(=C1)C2=CC=CC=C2
Structure:
CAS RN: 1008-74-8
CAS Name: 5-methyl-3-phenylisoxazole
OPENEYE Name: 5-methyl-3-phenyl-isoxazole
IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole
SYSTEMATIC NAME: 5-methyl-3-phenyl-1,2-oxazole
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC(=NO1)C2=CC=CC=C2
Structure:
CAS RN: 5978-34-7
CAS Name: 2-[(phenylmethyl)amino]ethanethiol
OPENEYE Name: 2-(benzylamino)ethanethiol
IUPAC Name: 2-(benzylamino)ethanethiol
SYSTEMATIC NAME: 2-[(phenylmethyl)amino]ethanethiol
MOLECULAR FORMULA: C9H13NS
MOLECULAR WEIGHT: 167.27122
SMILES: C1=CC=C(C=C1)CNCCS
Structure:
CAS RN: 1007-27-8
CAS Name: trimethyl-(phenylthio)stannane
OPENEYE Name: trimethyl(phenylsulfanyl)stannane
IUPAC Name: trimethyl(phenylsulfanyl)stannane
SYSTEMATIC NAME: trimethyl(phenylsulfanyl)stannane
MOLECULAR FORMULA: C9H14SSn
MOLECULAR WEIGHT: 272.98246
SMILES: C[Sn](C)(C)SC1=CC=CC=C1
Structure:
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