Molecule ID: 77190

IUPAC Name: propyl octadecanoate

Description: The molecule is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of propanol. It has a role as a metabolite.

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCC

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

InChI: InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h3-20H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 9.4