1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol

C20H36O — CID 586250

IUPAC1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol
SMILESC=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)(O)CC
InChIInChI=1S/C20H36O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h16-17,21H,2,7-14H2,1,3-6H3
InChIKeyCDSQWKVLUSXATP-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.73
Rot. Bonds4

About 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol

1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol (PubChem CID 586250) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol
PubChem CID586250
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol
SMILESC=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)(O)CC
InChIInChI=1S/C20H36O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h16-17,21H,2,7-14H2,1,3-6H3
InChIKeyCDSQWKVLUSXATP-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Beta-Eudesmol
CID 91457
Alpha-eudesmol
CID 92762
Manool
CID 3034394
Albicanol
CID 171360
2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8abeta))-
CID 5317269
1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene-
CID 238792
Zingiberol
CID 5317270
13-Epimanool
CID 10891602
8alpha-13(16),14-Labdadien-8-ol
CID 5168698
Selin-11-En-4Alpha-Ol
CID 15560330
7-epi-alpha-Eudesmol
CID 12304196
1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-
CID 521214

Frequently Asked Questions

What is the IUPAC name of 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol?
The IUPAC name of 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol (CID 586250) is 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol.
What is the SMILES notation for 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol?
The canonical SMILES for 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol is C=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)(O)CC.
What is the InChIKey of 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol?
The InChIKey is CDSQWKVLUSXATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h16-17,21H,2,7-14H2,1,3-6H3.
What are the key properties of 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol?
1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol has a molecular weight of 292.51 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentan-3-ol is sourced from PubChem (CID 586250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).