Molecule ID: 150911

IUPAC Name: (2-hydroxy-3-octanoyloxypropyl) octanoate

Description: The molecule is a 1,3-diglyceride in which both acyl groups are specified as octanoyl. It has a role as a Brassica napus metabolite and an excipient. It derives from an octanoic acid.

SMILES: CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC

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

InChI: InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 5.4