3-(2-methylpropyl)-5-propylcyclohexan-1-ol

C13H26O — CID 58534540

IUPAC3-(2-methylpropyl)-5-propylcyclohexan-1-ol
SMILESCCCC1CC(O)CC(CC(C)C)C1
InChIInChI=1S/C13H26O/c1-4-5-11-7-12(6-10(2)3)9-13(14)8-11/h10-14H,4-9H2,1-3H3
InChIKeyKSWJVCQONDMAEE-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds4

About 3-(2-methylpropyl)-5-propylcyclohexan-1-ol

3-(2-methylpropyl)-5-propylcyclohexan-1-ol (PubChem CID 58534540) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-propylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-propylcyclohexan-1-ol
PubChem CID58534540
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3-(2-methylpropyl)-5-propylcyclohexan-1-ol
SMILESCCCC1CC(O)CC(CC(C)C)C1
InChIInChI=1S/C13H26O/c1-4-5-11-7-12(6-10(2)3)9-13(14)8-11/h10-14H,4-9H2,1-3H3
InChIKeyKSWJVCQONDMAEE-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-methylpropyl)-5-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-propylcyclohexan-1-ol?
The IUPAC name of 3-(2-methylpropyl)-5-propylcyclohexan-1-ol (CID 58534540) is 3-(2-methylpropyl)-5-propylcyclohexan-1-ol.
What is the SMILES notation for 3-(2-methylpropyl)-5-propylcyclohexan-1-ol?
The canonical SMILES for 3-(2-methylpropyl)-5-propylcyclohexan-1-ol is CCCC1CC(O)CC(CC(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-5-propylcyclohexan-1-ol?
The InChIKey is KSWJVCQONDMAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-5-11-7-12(6-10(2)3)9-13(14)8-11/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-5-propylcyclohexan-1-ol?
3-(2-methylpropyl)-5-propylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-propylcyclohexan-1-ol is sourced from PubChem (CID 58534540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).