| CAS Number | 231937-89-6 |
| Catalog Number | AG01EANK(AGN-PC-0QZKQH) |
| Chemical Name | (1R)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylicacid 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-ylester |
| IUPAC Name | (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate |
| InChI | InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14?,16?,17-/m0/s1 |
| InChI Key | ZCVAOQKBXKSDMS-PREGVCBESA-N |
| MDL Number | MFCD00167397 |
| Molecular Formula | C19H26O3 |
| Molecular Weight | 302.4079 |
| SMILES | C=CCC1=C(C)C(CC1=O)OC(=O)[C@@H]1C(C1(C)C)/C=C(\C)/C |
| UN Number | 3352 |
| Synonyms | 231937-89-6,
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (1R)-,
D-Allethrin,
DTXSID80177769,
AN-29434,
937D896,
(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate,
(3-allyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate,
(1R)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester,
|
| Complexity | 574 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.414g/mol |
| Monoisotopic Mass | 302.188g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number