3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol

C20H32O — CID 75232180

IUPAC3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol
SMILESC=C1CCC=C(C)CCC2C(C(=C)C)CCC2(C)CC1O
InChIInChI=1S/C20H32O/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,17-19,21H,1,4,6,8-13H2,2-3,5H3
InChIKeyLHITWMVHFKXXCI-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.42
Rot. Bonds1

About 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol

3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol (PubChem CID 75232180) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol.

Molecular Properties

Compound Name3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol
PubChem CID75232180
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol
SMILESC=C1CCC=C(C)CCC2C(C(=C)C)CCC2(C)CC1O
InChIInChI=1S/C20H32O/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,17-19,21H,1,4,6,8-13H2,2-3,5H3
InChIKeyLHITWMVHFKXXCI-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol with MolForge

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Related Compounds

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2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
(1R,3aR,5S,8aS)-6-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol
CID 46211176
Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
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CID 16063533
(3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol
CID 50986101

Frequently Asked Questions

What is the IUPAC name of 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol?
The IUPAC name of 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol (CID 75232180) is 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol.
What is the SMILES notation for 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol?
The canonical SMILES for 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol is C=C1CCC=C(C)CCC2C(C(=C)C)CCC2(C)CC1O.
What is the InChIKey of 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol?
The InChIKey is LHITWMVHFKXXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,17-19,21H,1,4,6,8-13H2,2-3,5H3.
What are the key properties of 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol?
3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol has a molecular weight of 288.48 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,10-dimethyl-6-methylidene-1-prop-1-en-2-yl-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol is sourced from PubChem (CID 75232180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).