Molecule ID: 14371531

IUPAC Name: 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylic acid

Description: The molecule is a monocarboxylic acid that is 3,5-dioxocyclohexanecarboxylic acid substituted by a cyclopropyl(hydroxy)methylidene group at position 4. It is a metabolite of the plant growth regulator trinexapac-ethyl. It has a role as a marine xenobiotic metabolite, an agrochemical, a plant growth regulator and a gibberellin biosynthesis inhibitor. It is a member of cyclohexanones, a monocarboxylic acid, a beta-hydroxy ketone, an enol and a member of cyclopropanes.

SMILES: O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1

SELFIES: [O][=C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Ring1][#Branch2][=C][Branch1][C][O][C][C][C][Ring1][Ring1]

InChI: InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: 0.2