Molecule ID: 5356421

IUPAC Name: (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid

Description: The molecule is a monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group. It has a role as a plant metabolite. It is an epoxy fatty acid, a monounsaturated fatty acid, a long-chain fatty acid and an epoxyoctadecenoic acid. It derives from an octadec-9-enoic acid. It is a conjugate acid of a vernolate.

SMILES: CCCCCC1OC1C/C=C\CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-

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