Molecule ID: 8907

IUPAC Name: propan-2-yl hexadecanoate

Description: The molecule is a fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a fatty acid ester and an isopropyl ester. It derives from a hexadecanoic acid.

SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C

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

InChI: InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 8.2