Molecule ID: 56935841

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

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

SMILES: CCCCCCCC[C@@H](/C=C/CCCCCCC(=O)O)OO

SELFIES: [C][C][C][C][C][C][C][C][C@@H1][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+/t17-/m0/s1

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