Molecule ID: 12131

IUPAC Name: 2,3-di(hexanoyloxy)propyl hexanoate

Description: The molecule is a triglyceride obtained by condensation of each of the three hydroxy groups of glycerol with hexanoic (caproic) acid. It has a role as an insect repellent. It is a triglyceride and a hexanoate ester.

SMILES: CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC

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

InChI: InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3

Molecular Properties:
- Polar Surface Area: 78.9 Ų
- LogP: 5.7