2-(4-methylcyclohexyl)pentan-2-ol

C12H24O — CID 80557496

IUPAC2-(4-methylcyclohexyl)pentan-2-ol
SMILESCCCC(C)(O)C1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-4-9-12(3,13)11-7-5-10(2)6-8-11/h10-11,13H,4-9H2,1-3H3
InChIKeyPOJIWEIWUGLRSN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds3

About 2-(4-methylcyclohexyl)pentan-2-ol

2-(4-methylcyclohexyl)pentan-2-ol (PubChem CID 80557496) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)pentan-2-ol.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)pentan-2-ol
PubChem CID80557496
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-(4-methylcyclohexyl)pentan-2-ol
SMILESCCCC(C)(O)C1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-4-9-12(3,13)11-7-5-10(2)6-8-11/h10-11,13H,4-9H2,1-3H3
InChIKeyPOJIWEIWUGLRSN-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-methylcyclohexyl)pentan-2-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-(4-methylcyclohexyl)pentan-2-ol?
The IUPAC name of 2-(4-methylcyclohexyl)pentan-2-ol (CID 80557496) is 2-(4-methylcyclohexyl)pentan-2-ol.
What is the SMILES notation for 2-(4-methylcyclohexyl)pentan-2-ol?
The canonical SMILES for 2-(4-methylcyclohexyl)pentan-2-ol is CCCC(C)(O)C1CCC(C)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)pentan-2-ol?
The InChIKey is POJIWEIWUGLRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-9-12(3,13)11-7-5-10(2)6-8-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexyl)pentan-2-ol?
2-(4-methylcyclohexyl)pentan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)pentan-2-ol is sourced from PubChem (CID 80557496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).