Molecule ID: 87975091

IUPAC Name: (2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylnona-2,6-dienoic acid

Description: The molecule is a member of the juvenile hormone family of compounds obtained by formal hydrolysis of the methyl ester group of juvenile hormone I. It is an epoxy fatty acid, a juvenile hormone, an olefinic fatty acid, a polyunsaturated fatty acid and a branched-chain fatty acid. It is a conjugate acid of a juvenile hormone I carboxylate.

SMILES: CC/C(=C\CC/C(C)=C/C(=O)O)CC[C@H]1O[C@@]1(C)CC

SELFIES: [C][C][/C][=Branch1][=C][=C][\C][C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O][C][C][C@H1][O][C@@][Ring1][Ring1][Branch1][C][C][C][C]

InChI: InChI=1S/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/b13-12+,14-9+/t15-,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 4.6