Molecule ID: 50909797

IUPAC Name: (2Z,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)penta-2,4-dienoic acid

Description: The molecule is a monocarboxylic acid that is abscisic acid in which the tertiary hydroxy group is replaced by a hydrogen. It is an oxo monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It derives from a 2-cis-abscisic acid.

SMILES: CC1=CC(=O)CC(C)(C)C1/C=C/C(C)=C\C(=O)O

SELFIES: [C][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][/C][=C][/C][Branch1][C][C][=C][\C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H20O3/c1-10(7-14(17)18)5-6-13-11(2)8-12(16)9-15(13,3)4/h5-8,13H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 2.7