2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol

C14H28O2 — CID 79422840

IUPAC2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCC(C)(C)O)C1
InChIInChI=1S/C14H28O2/c1-10(2)11-5-6-13(15)12(9-11)7-8-14(3,4)16/h10-13,15-16H,5-9H2,1-4H3
InChIKeyBMZSAFQWVDPKBW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol

2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79422840) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID79422840
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCC(C)(C)O)C1
InChIInChI=1S/C14H28O2/c1-10(2)11-5-6-13(15)12(9-11)7-8-14(3,4)16/h10-13,15-16H,5-9H2,1-4H3
InChIKeyBMZSAFQWVDPKBW-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-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-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol (CID 79422840) is 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CCC(C)(C)O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is BMZSAFQWVDPKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-10(2)11-5-6-13(15)12(9-11)7-8-14(3,4)16/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol?
2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79422840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).