Molecule ID: 9907412

IUPAC Name: [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate

Description: The molecule is a butenolide that is but-2-en-4-olide bearing a 2,4,6-trimethylphenyl group at position 3, a 3,3-dimethylbutyryloxy group at position 4 and a spiro-fused cyclopentyl ring at position 5. It has a role as an insecticide. It derives from a 1,3,5-trimethylbenzene and a 3,3-dimethylbutyric acid.

SMILES: Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1

SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][C][=C][Branch1][#C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][Ring1][P][=O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2]

InChI: InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 5.1