5-(3,4-dimethylcyclohexyl)pentan-1-ol

C13H26O — CID 126691015

IUPAC5-(3,4-dimethylcyclohexyl)pentan-1-ol
SMILESCC1CCC(CCCCCO)CC1C
InChIInChI=1S/C13H26O/c1-11-7-8-13(10-12(11)2)6-4-3-5-9-14/h11-14H,3-10H2,1-2H3
InChIKeyXVMOPALCGYEFJE-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds5

About 5-(3,4-dimethylcyclohexyl)pentan-1-ol

5-(3,4-dimethylcyclohexyl)pentan-1-ol (PubChem CID 126691015) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-(3,4-dimethylcyclohexyl)pentan-1-ol.

Molecular Properties

Compound Name5-(3,4-dimethylcyclohexyl)pentan-1-ol
PubChem CID126691015
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5-(3,4-dimethylcyclohexyl)pentan-1-ol
SMILESCC1CCC(CCCCCO)CC1C
InChIInChI=1S/C13H26O/c1-11-7-8-13(10-12(11)2)6-4-3-5-9-14/h11-14H,3-10H2,1-2H3
InChIKeyXVMOPALCGYEFJE-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3,4-dimethylcyclohexyl)pentan-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 5-(3,4-dimethylcyclohexyl)pentan-1-ol?
The IUPAC name of 5-(3,4-dimethylcyclohexyl)pentan-1-ol (CID 126691015) is 5-(3,4-dimethylcyclohexyl)pentan-1-ol.
What is the SMILES notation for 5-(3,4-dimethylcyclohexyl)pentan-1-ol?
The canonical SMILES for 5-(3,4-dimethylcyclohexyl)pentan-1-ol is CC1CCC(CCCCCO)CC1C.
What is the InChIKey of 5-(3,4-dimethylcyclohexyl)pentan-1-ol?
The InChIKey is XVMOPALCGYEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-11-7-8-13(10-12(11)2)6-4-3-5-9-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-(3,4-dimethylcyclohexyl)pentan-1-ol?
5-(3,4-dimethylcyclohexyl)pentan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylcyclohexyl)pentan-1-ol is sourced from PubChem (CID 126691015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).