4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

C19H34O — CID 123883946

IUPAC4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCC1(CCC2CCCC3CC(O)CCC23C)CCCC1
InChIInChI=1S/C19H34O/c1-18(10-3-4-11-18)12-8-15-6-5-7-16-14-17(20)9-13-19(15,16)2/h15-17,20H,3-14H2,1-2H3
InChIKeyYQSUCJIROQRIAT-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.31
Rot. Bonds3

About 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (PubChem CID 123883946) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
PubChem CID123883946
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCC1(CCC2CCCC3CC(O)CCC23C)CCCC1
InChIInChI=1S/C19H34O/c1-18(10-3-4-11-18)12-8-15-6-5-7-16-14-17(20)9-13-19(15,16)2/h15-17,20H,3-14H2,1-2H3
InChIKeyYQSUCJIROQRIAT-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

17-(2-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 3603882
(17S)-17-(3-cyclopentylpropyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 134455217
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
CID 142091721
(3S,8S,13R,17S)-17-[3-(4,4-dimethylcyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 170095991
4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 130126609
(1S,3S,4R)-4-(7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl)-3-(2-hydroxyethyl)-4-methylcyclohexan-1-ol;ethane
CID 142951401
17-(4-cyclohexylbutyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;fluoroform;methane
CID 142332675
(3R,8R,9S,10S,13S,14S,17S)-17-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 101071552
10,13-dimethyl-17-[3-(4-methylcyclohexyl)propyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 142332710
ethane;(17S)-17-[4-(1-hydroxycyclopropyl)butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 145230509
ethane;10-ethenyl-13-methyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 167490163
(3S,10S,13R,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11630869

Frequently Asked Questions

What is the IUPAC name of 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The IUPAC name of 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (CID 123883946) is 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The canonical SMILES for 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is CC1(CCC2CCCC3CC(O)CCC23C)CCCC1.
What is the InChIKey of 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The InChIKey is YQSUCJIROQRIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-18(10-3-4-11-18)12-8-15-6-5-7-16-14-17(20)9-13-19(15,16)2/h15-17,20H,3-14H2,1-2H3.
What are the key properties of 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol has a molecular weight of 278.48 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 123883946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).