Molecule ID: 71728398

IUPAC Name: [(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] (Z)-octadec-9-enoate

Description: The molecule is a 1,2-diacyl-sn-glycerol where octanoyl and oleoyl form the 1- and 2-acyl groups respectively. It is a 1,2-diacyl-sn-glycerol and an octanoate ester. It derives from an oleic acid.

SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C]

InChI: InChI=1S/C29H54O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-8-6-4-2/h13-14,27,30H,3-12,15-26H2,1-2H3/b14-13-/t27-/m0/s1

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 9.9