Molecule ID: 71728435

IUPAC Name: [(2S)-2-decanoyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate

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

SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC

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

InChI: InChI=1S/C31H58O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-19-10-8-6-4-2/h14-15,29,32H,3-13,16-28H2,1-2H3/b15-14-/t29-/m0/s1

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 10.9