(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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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).