Molecule ID: 121490127

IUPAC Name: methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate

Description: The molecule is a hydroperoxy fatty ester that is the methyl ester of (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid. It is a polyunsaturated fatty ester, a methyl ester and a hydroperoxy fatty ester. It derives from a methyl linoleate.

SMILES: CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)OC)OO

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

InChI: InChI=1S/C19H34O4/c1-3-4-5-6-7-9-12-15-18(23-21)16-13-10-8-11-14-17-19(20)22-2/h7,9,12,15,18,21H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7-,15-12+/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 5.7