2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol

C9H18O2 — CID 12590009

IUPAC2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
SMILESCC1(O)CCCCC1(C)CO
InChIInChI=1S/C9H18O2/c1-8(7-10)5-3-4-6-9(8,2)11/h10-11H,3-7H2,1-2H3
InChIKeyQEWAZEVUOTZLNF-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds1

About 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol

2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol (PubChem CID 12590009) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
PubChem CID12590009
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
SMILESCC1(O)CCCCC1(C)CO
InChIInChI=1S/C9H18O2/c1-8(7-10)5-3-4-6-9(8,2)11/h10-11H,3-7H2,1-2H3
InChIKeyQEWAZEVUOTZLNF-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol 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 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol (CID 12590009) is 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol is CC1(O)CCCCC1(C)CO.
What is the InChIKey of 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol?
The InChIKey is QEWAZEVUOTZLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(7-10)5-3-4-6-9(8,2)11/h10-11H,3-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol?
2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 12590009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).