2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol

C15H30O — CID 139761097

IUPAC2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol
SMILESCC(C)C1CC(C(C)C)CC(C(C)CO)C1
InChIInChI=1S/C15H30O/c1-10(2)13-6-14(11(3)4)8-15(7-13)12(5)9-16/h10-16H,6-9H2,1-5H3
InChIKeyPRRLYVPEVCCMGE-UHFFFAOYSA-N
MW226.40 g/mol
LogP3.96
Rot. Bonds4

About 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol

2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol (PubChem CID 139761097) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol
PubChem CID139761097
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol
SMILESCC(C)C1CC(C(C)C)CC(C(C)CO)C1
InChIInChI=1S/C15H30O/c1-10(2)13-6-14(11(3)4)8-15(7-13)12(5)9-16/h10-16H,6-9H2,1-5H3
InChIKeyPRRLYVPEVCCMGE-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3,5-di(propan-2-yl)cyclohexyl]propan-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

Menthol
CID 1254
(-)-Menthol
CID 16666
3,7-Dimethyl-1-octanol
CID 7792
2-Butyl-1-octanol
CID 19800
(+)-Neomenthol
CID 439263
(+)-Menthol
CID 165675
Isomenthol, (+)-
CID 45056
4-Methylcyclohexanemethanol
CID 118193
Neoisomenthol
CID 19244
Isomenthol
CID 6432468
(-)-Neomenthol
CID 6566020
2-Cyclohexylethanol
CID 20508

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol?
The IUPAC name of 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol (CID 139761097) is 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol?
The canonical SMILES for 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol is CC(C)C1CC(C(C)C)CC(C(C)CO)C1.
What is the InChIKey of 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol?
The InChIKey is PRRLYVPEVCCMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-10(2)13-6-14(11(3)4)8-15(7-13)12(5)9-16/h10-16H,6-9H2,1-5H3.
What are the key properties of 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol?
2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 139761097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).