Molecule ID: 25068

IUPAC Name: propan-2-yl dodecanoate

Description: The molecule is a fatty acid ester obtained by the formal condensation of carboxy group of dodecanoic acid with propan-2-ol. A metabolite found in human saliva. It has a role as a human metabolite. It is a fatty acid ester and an isopropyl ester. It derives from a dodecanoic acid.

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

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

InChI: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 6.1