Cinerin I
cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: CINERIN I|Cinerin|Cinerine I|cinerin-1|CINERIN 1|Cinerin I [BSI:ISO]|Propane triphosphonate|Cinerine I [ISO-French]|CINERIN I [ISO]|CINERIN I [MI]|Pyrethrin (cinerin I)|Cinerine I (ISO-French)|Pesticide Code: 069009|EINECS 246-948-0|Chrysanthemummonocarboxylic acid, cinerolone ester|Cinerolone, chrysanthemummonocarboxylic acid ester|[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate|3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopentanecarboxylate|Chrysanthemummonocarboxilic acid, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester|(1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester|3-(2-Butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate (1R-(1alpha(S*(Z)),3beta))-|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S)-3-(2Z)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-|(Z)-(S)-3-(BUT-2-ENYL)-2-METHYL-4-OXOCYCLOPENT-2-ENYL (+)-TRANS-CHRYSANTHEMATE|(1S)-3-(2Z)-2-BUTENYL-2-METHYL-4-OXO-2-CYCLOPENTEN-1-YL (1R,3R)-2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)CYCLOPROPANECARBOXYLATE|(1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate|(Z)-(S)-3-(BUT-2-ENYL)-2-METHYL-4-OXOCYCLOPENT-2-ENYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLATE|[3-[(E)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20386 g/mol |
| LogP | 4.3921 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.20386 |
| Monoisotopic Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 600.37634 |
Chemical Identifiers
| CAS Number | 97-12-1 |
|---|---|
| SMILES | C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C |
Product Overview
Cinerin I (CAS 97-12-1), with molecular formula C20H28O3 and molecular weight 316.20386 g/mol. IUPAC: cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.