3-methylcyclohexan-1-ol

C7H14O — CID 11566

IUPAC3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)C1
InChIInChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKeyHTSABYAWKQAHBT-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.56
Rot. Bonds

About 3-methylcyclohexan-1-ol

3-methylcyclohexan-1-ol (PubChem CID 11566) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-methylcyclohexan-1-ol
PubChem CID11566
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)C1
InChIInChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKeyHTSABYAWKQAHBT-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methylcyclohexan-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

3,3,5-Trimethylcyclohexanol
CID 8298
2-Methylcyclohexanol
CID 11418
4-Methylcyclohexanol
CID 11524
3,4-Dimethylcyclohexanol
CID 97960
Cyclohexanol, 3,3,5-trimethyl-, cis-
CID 1550823
2,5-Dimethylcyclohexan-1-ol
CID 97959
cis-3,3,5-Trimethylcyclohexanol
CID 101921
(1S,2S)-2-methylcyclohexan-1-ol
CID 642632
Cyclohexanol, 3,3-dimethyl-
CID 79105
3,5-Dimethylcyclohexan-1-ol
CID 21584
Npc48932
CID 642633
trans-2-Methylcyclohexanol
CID 24004

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohexan-1-ol?
The IUPAC name of 3-methylcyclohexan-1-ol (CID 11566) is 3-methylcyclohexan-1-ol.
What is the SMILES notation for 3-methylcyclohexan-1-ol?
The canonical SMILES for 3-methylcyclohexan-1-ol is CC1CCCC(O)C1.
What is the InChIKey of 3-methylcyclohexan-1-ol?
The InChIKey is HTSABYAWKQAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3.
What are the key properties of 3-methylcyclohexan-1-ol?
3-methylcyclohexan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohexan-1-ol is sourced from PubChem (CID 11566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).