4-cyclohexyl-2-methylbutan-2-ol

C11H22O — CID 14434313

IUPAC4-cyclohexyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCC1CCCCC1
InChIInChI=1S/C11H22O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-9H2,1-2H3
InChIKeyKZZASWGRLOTITL-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds3

About 4-cyclohexyl-2-methylbutan-2-ol

4-cyclohexyl-2-methylbutan-2-ol (PubChem CID 14434313) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-cyclohexyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-2-methylbutan-2-ol
PubChem CID14434313
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-cyclohexyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCC1CCCCC1
InChIInChI=1S/C11H22O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-9H2,1-2H3
InChIKeyKZZASWGRLOTITL-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexyl-2-methylbutan-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 4-cyclohexyl-2-methylbutan-2-ol?
The IUPAC name of 4-cyclohexyl-2-methylbutan-2-ol (CID 14434313) is 4-cyclohexyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-cyclohexyl-2-methylbutan-2-ol?
The canonical SMILES for 4-cyclohexyl-2-methylbutan-2-ol is CC(C)(O)CCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-methylbutan-2-ol?
The InChIKey is KZZASWGRLOTITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-cyclohexyl-2-methylbutan-2-ol?
4-cyclohexyl-2-methylbutan-2-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methylbutan-2-ol is sourced from PubChem (CID 14434313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).