Molecule ID: 13801082

IUPAC Name: (E)-10-hydroperoxyoctadec-8-enoic acid

Description: The molecule is a hydroperoxy fatty acid that is 10-hydroperoxy derivative of (8E)-octadecenoic acid. It derives from an oleic acid. It is a conjugate acid of a 10-hydroperoxy-8E-octadecenoate.

SMILES: CCCCCCCCC(/C=C/CCCCCCC(=O)O)OO

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

InChI: InChI=1S/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.8