Molecule ID: 57113547

IUPAC Name: [(1S)-2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Description: The molecule is a carboxylic ester obtained by formal condensation between the carboxy group of (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid and the hydroxy group of (4S)-4-hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one. It has a role as a pyrethroid ester insecticide and an agrochemical. It is an organochlorine compound, an enone, a terminal acetylenic compound, a cyclic ketone and a cyclopropanecarboxylate ester.

SMILES: C#CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)CC1=O

SELFIES: [C][#C][C][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][#Branch1][C][=C][Branch1][C][Cl][Cl][C][Ring1][#Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][C][=O]

InChI: InChI=1S/C17H18Cl2O3/c1-5-6-10-9(2)13(8-12(10)20)22-16(21)15-11(7-14(18)19)17(15,3)4/h1,7,11,13,15H,6,8H2,2-4H3/t11-,13+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 4.5