CAS RN: 19781-10-3
CAS Name: 2,3-dimethyl-3-octanol
OPENEYE Name: 2,3-dimethyloctan-3-ol
IUPAC Name: 2,3-dimethyloctan-3-ol
SYSTEMATIC NAME: 2,3-dimethyloctan-3-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCCC(C)(C(C)C)O
Structure:
CAS RN: 19781-07-8
CAS Name: 2,7-dimethyloctane-2,7-diol
OPENEYE Name: 2,7-dimethyloctane-2,7-diol
IUPAC Name: 2,7-dimethyloctane-2,7-diol
SYSTEMATIC NAME: 2,7-dimethyloctane-2,7-diol
MOLECULAR FORMULA: C10H22O2
MOLECULAR WEIGHT: 174.28048
SMILES: CC(C)(CCCCC(C)(C)O)O
Structure:
CAS RN: 19780-94-0
CAS Name: 2-methylhexanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-methylhexanedioate
IUPAC Name: dimethyl 2-methylhexanedioate
SYSTEMATIC NAME: dimethyl 2-methylhexanedioate
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CC(CCCC(=O)OC)C(=O)OC
Structure:
CAS RN: 19780-90-6
CAS Name: hexane-2,4-diol
OPENEYE Name: hexane-2,4-diol
IUPAC Name: hexane-2,4-diol
SYSTEMATIC NAME: hexane-2,4-diol
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CCC(CC(C)O)O
Structure:
CAS RN: 19780-80-4
CAS Name: 7-methylenetridecane
OPENEYE Name: 7-methylenetridecane
IUPAC Name: 7-methylidenetridecane
SYSTEMATIC NAME: 7-methylidenetridecane
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CCCCCCC(=C)CCCCCC
Structure:
CAS RN: 19780-67-7
CAS Name: 3-ethyl-2-methyl-2-pentene
OPENEYE Name: 3-ethyl-2-methyl-pent-2-ene
IUPAC Name: 3-ethyl-2-methylpent-2-ene
SYSTEMATIC NAME: 3-ethyl-2-methyl-pent-2-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCC(=C(C)C)CC
Structure:
CAS RN: 19780-66-6
CAS Name: 3-ethyl-2-methyl-1-pentene
OPENEYE Name: 3-ethyl-2-methyl-pent-1-ene
IUPAC Name: 3-ethyl-2-methylpent-1-ene
SYSTEMATIC NAME: 3-ethyl-2-methyl-pent-1-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCC(CC)C(=C)C
Structure:
CAS RN: 19780-65-5
CAS Name: 3-ethyl-3-methyl-2-pentanone
OPENEYE Name: 3-ethyl-3-methyl-pentan-2-one
IUPAC Name: 3-ethyl-3-methylpentan-2-one
SYSTEMATIC NAME: 3-ethyl-3-methyl-pentan-2-one
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCC(C)(CC)C(=O)C
Structure:
CAS RN: 19780-61-1
CAS Name: 3-ethyl-2-methyl-2-heptene
OPENEYE Name: 3-ethyl-2-methyl-hept-2-ene
IUPAC Name: 3-ethyl-2-methylhept-2-ene
SYSTEMATIC NAME: 3-ethyl-2-methyl-hept-2-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCC(=C(C)C)CC
Structure:
CAS RN: 19780-60-0
CAS Name: 3-ethyl-2-methyl-1-heptene
OPENEYE Name: 3-ethyl-2-methyl-hept-1-ene
IUPAC Name: 3-ethyl-2-methylhept-1-ene
SYSTEMATIC NAME: 3-ethyl-2-methyl-hept-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCC(CC)C(=C)C
Structure:
CAS RN: 19780-51-9
CAS Name: ethylidenecyclooctane
OPENEYE Name: ethylidenecyclooctane
IUPAC Name: ethylidenecyclooctane
SYSTEMATIC NAME: ethylidenecyclooctane
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC=C1CCCCCCC1
Structure:
CAS RN: 19780-46-2
CAS Name: 4-ethyl-2-hexene
OPENEYE Name: 4-ethylhex-2-ene
IUPAC Name: 4-ethylhex-2-ene
SYSTEMATIC NAME: 4-ethylhex-2-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCC(CC)C=CC
Structure:
CAS RN: 19780-44-0
CAS Name: 4-ethyl-3-hexanol
OPENEYE Name: 4-ethylhexan-3-ol
IUPAC Name: 4-ethylhexan-3-ol
SYSTEMATIC NAME: 4-ethylhexan-3-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCC(CC)C(CC)O
Structure:
CAS RN: 19780-31-5
CAS Name: 6-ethyl-3-decanol
OPENEYE Name: 6-ethyldecan-3-ol
IUPAC Name: 6-ethyldecan-3-ol
SYSTEMATIC NAME: 6-ethyldecan-3-ol
MOLECULAR FORMULA: C12H26O
MOLECULAR WEIGHT: 186.33424
SMILES: CCCCC(CC)CCC(CC)O
Structure:
CAS RN: 19780-12-2
CAS Name: 5-dodecyne
OPENEYE Name: dodec-5-yne
IUPAC Name: dodec-5-yne
SYSTEMATIC NAME: dodec-5-yne
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: CCCCCCC#CCCCC
Structure:
CAS RN: 19768-02-6
CAS Name: 3,4-diphenyl-1,2,5-oxadiazole
OPENEYE Name: 3,4-diphenyl-1,2,5-oxadiazole
IUPAC Name: 3,4-diphenyl-1,2,5-oxadiazole
SYSTEMATIC NAME: 3,4-diphenyl-1,2,5-oxadiazole
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C(C=C1)C2=NON=C2C3=CC=CC=C3
Structure:
CAS RN: 19756-04-8
CAS Name: dimethylazanide; zirconium(4+)
OPENEYE Name: dimethylazanide; zirconium(4+)
IUPAC Name: dimethylazanide; zirconium(4+)
SYSTEMATIC NAME: dimethylazanide; zirconium(4+)
MOLECULAR FORMULA: C8H24N4Zr
MOLECULAR WEIGHT: 267.52696
SMILES: C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
Structure:
CAS RN: 19740-75-1
CAS Name: 9-oxabicyclo[4.2.1]nona-2,4-diene
OPENEYE Name: 9-oxabicyclo[4.2.1]nona-2,4-diene
IUPAC Name: 9-oxabicyclo[4.2.1]nona-2,4-diene
SYSTEMATIC NAME: 9-oxabicyclo[4.2.1]nona-2,4-diene
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: C1CC2C=CC=CC1O2
Structure:
CAS RN: 19740-34-2
CAS Name: 2,2-dimethyladamantane
OPENEYE Name: 2,2-dimethyladamantane
IUPAC Name: 2,2-dimethyladamantane
SYSTEMATIC NAME: 2,2-dimethyladamantane
MOLECULAR FORMULA: C12H20
MOLECULAR WEIGHT: 164.2872
SMILES: CC1(C2CC3CC(C2)CC1C3)C
Structure:
CAS RN: 19740-18-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H15
MOLECULAR WEIGHT: 135.2261
SMILES: C1C2CC3CC1C[C](C2)C3
Structure:
CAS RN: 19729-30-7
CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]propanoic acid
OPENEYE Name: 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[2-(2-azanylethanoylamino)ethanoylamino]propanoic acid
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CC(C(=O)O)NC(=O)CNC(=O)CN
Structure:
CAS RN: 19719-81-4
CAS Name: 1-methylazocane
OPENEYE Name: 1-methylazocane
IUPAC Name: 1-methylazocane
SYSTEMATIC NAME: 1-methylazocane
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CN1CCCCCCC1
Structure:
CAS RN: 19716-78-0
CAS Name: 2-[[2-[[3-(1H-indol-3-yl)-1-oxo-2-[[1-oxo-2-(1-oxodecylamino)ethyl]amino]propyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 2-[2-[[2-[[2-(decanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoate
IUPAC Name: methyl 2-[2-[[2-[[2-(decanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoate
SYSTEMATIC NAME: methyl 2-[2-[[2-[2-(decanoylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoate
MOLECULAR FORMULA: C30H45N5O6
MOLECULAR WEIGHT: 571.7082
SMILES: CCCCCCCCCC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(C)C(=O)OC
Structure:
CAS RN: 19714-73-9
CAS Name: 1-cyclopropyl-3-methylbenzene
OPENEYE Name: 1-cyclopropyl-3-methyl-benzene
IUPAC Name: 1-cyclopropyl-3-methylbenzene
SYSTEMATIC NAME: 1-cyclopropyl-3-methyl-benzene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: CC1=CC=CC(=C1)C2CC2
Structure:
CAS RN: 19708-81-7
CAS Name: (methylthio)methanethioic acid O-methyl ester
OPENEYE Name: O-methyl methylsulfanylmethanethioate
IUPAC Name: O-methyl methylsulfanylmethanethioate
SYSTEMATIC NAME: O-methyl methylsulfanylmethanethioate
MOLECULAR FORMULA: C3H6OS2
MOLECULAR WEIGHT: 122.20914
SMILES: COC(=S)SC
Structure:
CAS RN: 19678-58-1
CAS Name: 4-propan-2-ylpiperidine
OPENEYE Name: 4-isopropylpiperidine
IUPAC Name: 4-propan-2-ylpiperidine
SYSTEMATIC NAME: 4-propan-2-ylpiperidine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CC(C)C1CCNCC1
Structure:
CAS RN: 19656-98-5
CAS Name: 5-methylcyclohexa-1,3-diene
OPENEYE Name: 5-methylcyclohexa-1,3-diene
IUPAC Name: 5-methylcyclohexa-1,3-diene
SYSTEMATIC NAME: 5-methylcyclohexa-1,3-diene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: CC1CC=CC=C1
Structure:
CAS RN: 19641-26-0
CAS Name: 1-methyl-6-azecanone
OPENEYE Name: 1-methylazecan-6-one
IUPAC Name: 1-methylazecan-6-one
SYSTEMATIC NAME: 1-methylazecan-6-one
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: CN1CCCCC(=O)CCCC1
Structure:
CAS RN: 19617-44-8
CAS Name: N-ethoxycarbonylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-ethoxycarbonylcarbamate
IUPAC Name: ethyl N-ethoxycarbonylcarbamate
SYSTEMATIC NAME: ethyl N-ethoxycarbonylcarbamate
MOLECULAR FORMULA: C6H11NO4
MOLECULAR WEIGHT: 161.15584
SMILES: CCOC(=O)NC(=O)OCC
Structure:
CAS RN: 6421-11-0
CAS Name: N-ethoxycarbonylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-ethoxycarbonylcarbamate
IUPAC Name: ethyl N-ethoxycarbonylcarbamate
SYSTEMATIC NAME: ethyl N-ethoxycarbonylcarbamate
MOLECULAR FORMULA: C6H11NO4
MOLECULAR WEIGHT: 161.15584
SMILES: CCOC(=O)NC(=O)OCC
Structure:
CAS RN: 19616-52-5
CAS Name: 2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidine
OPENEYE Name: 2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidine
IUPAC Name: 2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidine
SYSTEMATIC NAME: 2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidine
MOLECULAR FORMULA: C8H14N2
MOLECULAR WEIGHT: 138.21016
SMILES: C1CC=C2NCCCN2C1
Structure:
CAS RN: 19598-07-3
CAS Name: acetic acid [(2R)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] ester
OPENEYE Name: [(2R)-1-acetoxyindan-2-yl] acetate
IUPAC Name: [(2R)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate
SYSTEMATIC NAME: [(2R)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] ethanoate
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: CC(=O)O[C@@H]1CC2=CC=CC=C2C1OC(=O)C
Structure:
CAS RN: 19597-96-7
CAS Name: acetic acid (1-acetyloxy-2,3-dihydro-1H-inden-2-yl) ester
OPENEYE Name: (1-acetoxyindan-2-yl) acetate
IUPAC Name: (1-acetyloxy-2,3-dihydro-1H-inden-2-yl) acetate
SYSTEMATIC NAME: (1-acetyloxy-2,3-dihydro-1H-inden-2-yl) ethanoate
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: CC(=O)OC1CC2=CC=CC=C2C1OC(=O)C
Structure:
CAS RN: 19596-07-7
CAS Name: 4-pentynenitrile
OPENEYE Name: pent-4-ynenitrile
IUPAC Name: pent-4-ynenitrile
SYSTEMATIC NAME: pent-4-ynenitrile
MOLECULAR FORMULA: C5H5N
MOLECULAR WEIGHT: 79.0999
SMILES: C#CCCC#N
Structure:
CAS RN: 19591-17-4
CAS Name: N-(2-iodophenyl)acetamide
OPENEYE Name: N-(2-iodophenyl)acetamide
IUPAC Name: N-(2-iodophenyl)acetamide
SYSTEMATIC NAME: N-(2-iodanylphenyl)ethanamide
MOLECULAR FORMULA: C8H8INO
MOLECULAR WEIGHT: 261.05969
SMILES: CC(=O)NC1=CC=CC=C1I
Structure:
CAS RN: 19560-66-8
CAS Name: 1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine
OPENEYE Name: 1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine
IUPAC Name: 1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine
SYSTEMATIC NAME: 1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine
MOLECULAR FORMULA: C11H16N2
MOLECULAR WEIGHT: 176.25814
SMILES: CN1CCCN(C2=CC=CC=C21)C
Structure:
CAS RN: 19550-90-4
CAS Name: 2,3-dimethyl-5-hexen-3-ol
OPENEYE Name: 2,3-dimethylhex-5-en-3-ol
IUPAC Name: 2,3-dimethylhex-5-en-3-ol
SYSTEMATIC NAME: 2,3-dimethylhex-5-en-3-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC(C)C(C)(CC=C)O
Structure:
CAS RN: 19550-89-1
CAS Name: 2,2-dimethyl-5-hexen-3-ol
OPENEYE Name: 2,2-dimethylhex-5-en-3-ol
IUPAC Name: 2,2-dimethylhex-5-en-3-ol
SYSTEMATIC NAME: 2,2-dimethylhex-5-en-3-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC(C)(C)C(CC=C)O
Structure:
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