(3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol

C11H18O — CID 85431238

IUPAC(3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol
SMILESC=C1CCC2CCCCC12CO
InChIInChI=1S/C11H18O/c1-9-5-6-10-4-2-3-7-11(9,10)8-12/h10,12H,1-8H2
InChIKeyCZQIXMOUMRTSJT-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.51
Rot. Bonds1

About (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol

(3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol (PubChem CID 85431238) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol.

Molecular Properties

Compound Name(3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol
PubChem CID85431238
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol
SMILESC=C1CCC2CCCCC12CO
InChIInChI=1S/C11H18O/c1-9-5-6-10-4-2-3-7-11(9,10)8-12/h10,12H,1-8H2
InChIKeyCZQIXMOUMRTSJT-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(3aS,7aR)-7a-(hydroxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]-N,N-dimethylpentanamide
CID 101203695
(1-cyclohexyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 82944714
(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
CID 90923684
(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol
CID 143514062
4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
CID 22747819
(5S,8R,9S,10S,13S,14S)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 118905124
(3-cyclopentylpyrrolidin-3-yl)methanol
CID 82945260
(4aR,8aS)-6-oxo-1,2,3,4,5,7,8,8a-octahydronaphthalene-4a-carboxylic acid
CID 12571488
(5S)-5-cyclohexyl-5-prop-2-enylcycloheptane-1,4-dione
CID 102087938
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ylmethanol
CID 75193259
(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine
CID 134892693

Frequently Asked Questions

What is the IUPAC name of (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol?
The IUPAC name of (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol (CID 85431238) is (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol.
What is the SMILES notation for (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol?
The canonical SMILES for (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol is C=C1CCC2CCCCC12CO.
What is the InChIKey of (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol?
The InChIKey is CZQIXMOUMRTSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-5-6-10-4-2-3-7-11(9,10)8-12/h10,12H,1-8H2.
What are the key properties of (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol?
(3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol has a molecular weight of 166.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidene-2,4,5,6,7,7a-hexahydro-1H-inden-3a-yl)methanol is sourced from PubChem (CID 85431238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).