3-(4-Pentylcyclohexyl)propan-1-ol

HCID 20162032

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 92710-58-2
Standard SMILES: CCCCCC1CCC(CCCO)CC1
InChIKey: DEMSUANAIHZWOH-UHFFFAOYSA-N
Molecular formula: C14H28O
Average molar mass: 212.37 g/mol
Monoisotopic mass: 212.21401552

Names & identifiers

Preferred name: 3-(4-Pentylcyclohexyl)propan-1-ol
IUPAC: 3-(4-pentylcyclohexyl)propan-1-ol

Names & synonyms

3-(4-pentylcyclohexyl)propan-1-ol92710-58-2SCHEMBL10593328SCHEMBL10794835DTXSID10603167DEMSUANAIHZWOH-HDJSIYSDSA-N3-(trans-4-pentylcyclohexyl)-1-propanol

Database identifiers

CAS: 92710-58-2
PubChem CID: 20162032
DTXSID: DTXSID10603167

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 136

Related reactions

1 records

New reaction record

HRID 1239498As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…