(4-methylcyclohexen-1-yl)methanediol

C8H14O2 — CID 22085529

IUPAC(4-methylcyclohexen-1-yl)methanediol
SMILESCC1CC=C(C(O)O)CC1
InChIInChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h4,6,8-10H,2-3,5H2,1H3
InChIKeyOUEWPYVSGHHVPO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.04
Rot. Bonds1

About (4-methylcyclohexen-1-yl)methanediol

(4-methylcyclohexen-1-yl)methanediol (PubChem CID 22085529) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4-methylcyclohexen-1-yl)methanediol.

Molecular Properties

Compound Name(4-methylcyclohexen-1-yl)methanediol
PubChem CID22085529
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4-methylcyclohexen-1-yl)methanediol
SMILESCC1CC=C(C(O)O)CC1
InChIInChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h4,6,8-10H,2-3,5H2,1H3
InChIKeyOUEWPYVSGHHVPO-UHFFFAOYSA-N
XLogP1.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4-methylcyclohexen-1-yl)methanediol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexen-1-yl)methanediol?
The IUPAC name of (4-methylcyclohexen-1-yl)methanediol (CID 22085529) is (4-methylcyclohexen-1-yl)methanediol.
What is the SMILES notation for (4-methylcyclohexen-1-yl)methanediol?
The canonical SMILES for (4-methylcyclohexen-1-yl)methanediol is CC1CC=C(C(O)O)CC1.
What is the InChIKey of (4-methylcyclohexen-1-yl)methanediol?
The InChIKey is OUEWPYVSGHHVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h4,6,8-10H,2-3,5H2,1H3.
What are the key properties of (4-methylcyclohexen-1-yl)methanediol?
(4-methylcyclohexen-1-yl)methanediol has a molecular weight of 142.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexen-1-yl)methanediol is sourced from PubChem (CID 22085529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).