ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one

C166H239N9O12S — CID 159770567

IUPACethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC(=O)C2=C1CCC2.CC(C)C1=CCC(=O)C2=C1CCCC2.CC(C)C1=CCC(=O)c2ccccc21.CC(C)C1=CCC(=O)c2cccn21.CC(C)C1=CCC(=O)c2cccnc21.CC(C)C1=CCC(=O)c2ccncc21.CC(C)C1=CCC(=O)c2ccsc21.CC(C)C1=CCC(=O)c2cnccc21.CC(C)C1=CCC(=O)c2ncccc21.CC(C)C1=CCC(=O)c2nccnc21.CC(C)C1=CCC(=O)n2cccc21.CC(C)C1NC(=O)c2ccccc21
InChIInChI=1S/C13H18O.C13H14O.4C12H13NO.C12H16O.C11H12N2O.3C11H13NO.C11H12OS.12C2H6.CH4/c2*1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12;1-8(2)9-3-4-12(14)10-5-6-13-7-11(9)10;1-8(2)9-3-4-12(14)11-7-13-6-5-10(9)11;1-8(2)9-5-6-11(14)10-4-3-7-13-12(9)10;1-8(2)9-5-6-11(14)12-10(9)4-3-7-13-12;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-7(2)8-3-4-9(14)11-10(8)12-5-6-13-11;1-8(2)9-5-6-11(13)10-4-3-7-12(9)10;1-8(2)9-5-6-11(13)12-7-3-4-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11(13)12-10;1-7(2)8-3-4-10(12)9-5-6-13-11(8)9;12*1-2;/h7,9H,3-6,8H2,1-2H3;3-7,9H,8H2,1-2H3;2*3,5-8H,4H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;6,8H,3-5,7H2,1-2H3;3,5-7H,4H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;3-7,10H,1-2H3,(H,12,13);3,5-7H,4H2,1-2H3;12*1-2H3;1H4
InChIKeyNGBDPKRKACSYCZ-UHFFFAOYSA-N
MW2584.86 g/mol
LogP46.27
Rot. Bonds12

About ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one

ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one (PubChem CID 159770567) has the molecular formula C166H239N9O12S and a molecular weight of 2584.86 g/mol. Its IUPAC name is ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Nameethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
PubChem CID159770567
Molecular FormulaC166H239N9O12S
Molecular Weight2584.86 g/mol
Exact Mass2582.81
IUPAC Nameethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC(=O)C2=C1CCC2.CC(C)C1=CCC(=O)C2=C1CCCC2.CC(C)C1=CCC(=O)c2ccccc21.CC(C)C1=CCC(=O)c2cccn21.CC(C)C1=CCC(=O)c2cccnc21.CC(C)C1=CCC(=O)c2ccncc21.CC(C)C1=CCC(=O)c2ccsc21.CC(C)C1=CCC(=O)c2cnccc21.CC(C)C1=CCC(=O)c2ncccc21.CC(C)C1=CCC(=O)c2nccnc21.CC(C)C1=CCC(=O)n2cccc21.CC(C)C1NC(=O)c2ccccc21
InChIInChI=1S/C13H18O.C13H14O.4C12H13NO.C12H16O.C11H12N2O.3C11H13NO.C11H12OS.12C2H6.CH4/c2*1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12;1-8(2)9-3-4-12(14)10-5-6-13-7-11(9)10;1-8(2)9-3-4-12(14)11-7-13-6-5-10(9)11;1-8(2)9-5-6-11(14)10-4-3-7-13-12(9)10;1-8(2)9-5-6-11(14)12-10(9)4-3-7-13-12;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-7(2)8-3-4-9(14)11-10(8)12-5-6-13-11;1-8(2)9-5-6-11(13)10-4-3-7-12(9)10;1-8(2)9-5-6-11(13)12-7-3-4-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11(13)12-10;1-7(2)8-3-4-10(12)9-5-6-13-11(8)9;12*1-2;/h7,9H,3-6,8H2,1-2H3;3-7,9H,8H2,1-2H3;2*3,5-8H,4H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;6,8H,3-5,7H2,1-2H3;3,5-7H,4H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;3-7,10H,1-2H3,(H,12,13);3,5-7H,4H2,1-2H3;12*1-2H3;1H4
InChIKeyNGBDPKRKACSYCZ-UHFFFAOYSA-N
XLogP46.27
TPSA304.07 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002584.86
LogP ≤ 546.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
CID 157656156
(3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3R)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
CID 161581732
CID 157167122
CID 157167122
tris((7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);hydrobromide
CID 157321338
N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide
CID 157393330
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 157462805
1-[(5S,7S)-7-(4-aminophenyl)-5-butyl-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-yn-1-one;1-[(5S,7S)-7-(4-aminophenyl)-5-butyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-yn-1-one;1-[(5S,7S)-7-(4-aminophenyl)-5-butyl-2-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]prop-2-yn-1-one;1-[(5S,7S)-7-(4-aminophenyl)-5-butyl-3-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]prop-2-yn-1-one;(5R,7S)-7-[4-(dimethylcarbamoyl)phenyl]-N,N-dimethyl-6-prop-2-ynoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxamide;1-[(5S,7S)-2,5-dimethyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-yn-1-one;1-[(5S,7S)-3,5-dimethyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-yn-1-one;1-[(5S,7S)-3,5-dimethyl-7-phenyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl]prop-2-yn-1-one
CID 157525254
2-(2,6-dioxopiperidin-3-yl)-4-(thiophen-2-ylmethylamino)isoindole-1,3-dione;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione
CID 157610074
ethane;methane;7-propan-2-yl-3a,5-dihydroinden-4-one;7-propan-2-yl-5,7a-dihydroinden-4-one;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
CID 157655836
tris((7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);methane
CID 157842791
CID 157894023
CID 157894023
N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 158045280

Frequently Asked Questions

What is the IUPAC name of ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one (CID 159770567) is ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC(=O)C2=C1CCC2.CC(C)C1=CCC(=O)C2=C1CCCC2.CC(C)C1=CCC(=O)c2ccccc21.CC(C)C1=CCC(=O)c2cccn21.CC(C)C1=CCC(=O)c2cccnc21.CC(C)C1=CCC(=O)c2ccncc21.CC(C)C1=CCC(=O)c2ccsc21.CC(C)C1=CCC(=O)c2cnccc21.CC(C)C1=CCC(=O)c2ncccc21.CC(C)C1=CCC(=O)c2nccnc21.CC(C)C1=CCC(=O)n2cccc21.CC(C)C1NC(=O)c2ccccc21.
What is the InChIKey of ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The InChIKey is NGBDPKRKACSYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C13H14O.4C12H13NO.C12H16O.C11H12N2O.3C11H13NO.C11H12OS.12C2H6.CH4/c2*1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12;1-8(2)9-3-4-12(14)10-5-6-13-7-11(9)10;1-8(2)9-3-4-12(14)11-7-13-6-5-10(9)11;1-8(2)9-5-6-11(14)10-4-3-7-13-12(9)10;1-8(2)9-5-6-11(14)12-10(9)4-3-7-13-12;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-7(2)8-3-4-9(14)11-10(8)12-5-6-13-11;1-8(2)9-5-6-11(13)10-4-3-7-12(9)10;1-8(2)9-5-6-11(13)12-7-3-4-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11(13)12-10;1-7(2)8-3-4-10(12)9-5-6-13-11(8)9;12*1-2;/h7,9H,3-6,8H2,1-2H3;3-7,9H,8H2,1-2H3;2*3,5-8H,4H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;6,8H,3-5,7H2,1-2H3;3,5-7H,4H2,1-2H3;2*3-5,7-8H,6H2,1-2H3;3-7,10H,1-2H3,(H,12,13);3,5-7H,4H2,1-2H3;12*1-2H3;1H4.
What are the key properties of ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one has a molecular weight of 2584.86 g/mol, XLogP of 46.27, 12 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 159770567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).