2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol

C14H28O2 — CID 114496731

IUPAC2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC(C)(O)CC)C1
InChIInChI=1S/C14H28O2/c1-4-6-11-7-8-13(15)12(9-11)10-14(3,16)5-2/h11-13,15-16H,4-10H2,1-3H3
InChIKeyMCFVGRPGJCDVLM-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol

2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol (PubChem CID 114496731) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol
PubChem CID114496731
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC(C)(O)CC)C1
InChIInChI=1S/C14H28O2/c1-4-6-11-7-8-13(15)12(9-11)10-14(3,16)5-2/h11-13,15-16H,4-10H2,1-3H3
InChIKeyMCFVGRPGJCDVLM-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-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

2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
CID 79422814
2-(2-methylbutyl)-4-propylcyclohexan-1-ol
CID 63459236
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol
CID 114496727
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
2-ethyl-5-propylcyclohexan-1-ol
CID 58534322
4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
CID 79422405
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053
2-(2-ethyl-2-hydroxybutyl)-4-methylcyclohexan-1-ol
CID 114496725
4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol (CID 114496731) is 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CC(C)(O)CC)C1.
What is the InChIKey of 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol?
The InChIKey is MCFVGRPGJCDVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-6-11-7-8-13(15)12(9-11)10-14(3,16)5-2/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol?
2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 114496731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).