Molecule ID: 12293

IUPAC Name: propyl hexanoate

Description: The molecule is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol. It has a role as a metabolite. It derives from a propan-1-ol.

SMILES: CCCCCC(=O)OCCC

SELFIES: [C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C]

InChI: InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.9