Molecule ID: 6246154

IUPAC Name: 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid

Description: The molecule is an EpOME obtained by formal epoxidation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer). It is a conjugate acid of a 9(10)-EpOME(1-).

SMILES: CCCCC/C=C\CC1OC1CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 5.6