Molecule ID: 69351

IUPAC Name: propyl octanoate

Description: The molecule is an octanoate ester resulting from the formal condensation of the carboxy group of octanoic acid (caprylic acid) with the hydroxy group of propan-1-ol. It has a role as a metabolite.

SMILES: CCCCCCCC(=O)OCCC

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

InChI: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.0