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

C9H18O2 — CID 45083258

IUPAC1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)CO
InChIInChI=1S/C9H18O2/c1-8(2)5-3-4-6-9(8,11)7-10/h10-11H,3-7H2,1-2H3
InChIKeyVCPOPMQZQGFWOR-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds1

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

1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 45083258) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID45083258
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)CO
InChIInChI=1S/C9H18O2/c1-8(2)5-3-4-6-9(8,11)7-10/h10-11H,3-7H2,1-2H3
InChIKeyVCPOPMQZQGFWOR-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 1-(hydroxymethyl)-2,2-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

Related Compounds

1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
1-(2-ethylbutyl)-2,2-dimethylcyclohexan-1-ol
CID 82929225
1-(2-ethylbutyl)-2,2-dimethylcyclopentan-1-ol
CID 82929328
2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 79847451
1-(cyclopentylmethyl)-2,2-dimethylcyclopentan-1-ol
CID 79862326
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
CID 71726289
2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
(1-methylcyclododecyl)methanol
CID 70130772
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
CID 104809607
1-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 114224505

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol (CID 45083258) is 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCCC1(O)CO.
What is the InChIKey of 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is VCPOPMQZQGFWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)5-3-4-6-9(8,11)7-10/h10-11H,3-7H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol?
1-(hydroxymethyl)-2,2-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 1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 45083258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).