(3,3-dimethylcyclohexen-1-yl)methanol

C9H16O — CID 11116156

IUPAC(3,3-dimethylcyclohexen-1-yl)methanol
SMILESCC1(C)C=C(CO)CCC1
InChIInChI=1S/C9H16O/c1-9(2)5-3-4-8(6-9)7-10/h6,10H,3-5,7H2,1-2H3
InChIKeyRNZGQRHWGNRMPR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds1

About (3,3-dimethylcyclohexen-1-yl)methanol

(3,3-dimethylcyclohexen-1-yl)methanol (PubChem CID 11116156) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3,3-dimethylcyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethylcyclohexen-1-yl)methanol
PubChem CID11116156
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3,3-dimethylcyclohexen-1-yl)methanol
SMILESCC1(C)C=C(CO)CCC1
InChIInChI=1S/C9H16O/c1-9(2)5-3-4-8(6-9)7-10/h6,10H,3-5,7H2,1-2H3
InChIKeyRNZGQRHWGNRMPR-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.12
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

1-ethyl-3,3-dimethylcyclohexene
CID 142138224
1-(dibromomethyl)-3,3-dimethylcyclohexene
CID 139627445
4-(3,3-dimethylcyclohexen-1-yl)but-3-enal
CID 123217581
[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
CID 173098272
cyclododecen-1-ylmethanol
CID 70464862
tris([(1E,3Z)-cycloocta-1,3-dien-1-yl]methanol);iridium
CID 153325121
3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene
CID 174144257
[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
CID 101124373
[(6R)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
CID 101371966
[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
CID 98049886
2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one
CID 12034555
6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
CID 85287730

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclohexen-1-yl)methanol?
The IUPAC name of (3,3-dimethylcyclohexen-1-yl)methanol (CID 11116156) is (3,3-dimethylcyclohexen-1-yl)methanol.
What is the SMILES notation for (3,3-dimethylcyclohexen-1-yl)methanol?
The canonical SMILES for (3,3-dimethylcyclohexen-1-yl)methanol is CC1(C)C=C(CO)CCC1.
What is the InChIKey of (3,3-dimethylcyclohexen-1-yl)methanol?
The InChIKey is RNZGQRHWGNRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)5-3-4-8(6-9)7-10/h6,10H,3-5,7H2,1-2H3.
What are the key properties of (3,3-dimethylcyclohexen-1-yl)methanol?
(3,3-dimethylcyclohexen-1-yl)methanol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclohexen-1-yl)methanol is sourced from PubChem (CID 11116156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).