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D-Trans-Tetramethrin
CAS: 1166-46-7 | C19H25NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1166-46-7
Molecular Formula:
C19H25NO4
Molecular Mass:
331.41 g/mol
Names and Synonyms:
D-Trans-Tetramethrin
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1R,3R)-
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with N-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide, trans-(+)-
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1R-trans)-
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1R,3R)-
3,4,5,6-Tetrahydrophthalimidomethyl (+)-trans-chrysanthemate
d-trans-Tetramethrin
(3,4,5,6-Tetrahydrophthalimido)methyl d-trans-chrysanthemate
(+)-trans-Tetramethrin
Biotetramethrin
1R-trans-Tetramethrin
Rich-d-trans-tetramethrin
Identifiers:
SMILES:
CC(C)=C[C@@H]1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C
InChI:
InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 331.41 g/mol | CAS Common Chemistry |
| 331.4120000000001 g/mol | RDKit | |
| 331.17835828 g/mol | RDKit | |
| Canonical SMILES | O=C1C2=C(C(=O)N1COC(=O)C3C(C=C(C)C)C3(C)C)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CXBMCYHAMVGWJQ-CABCVRRESA-N | CAS Common Chemistry |
| Name | d-trans-Tetramethrin | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.68 Ų | RDKit |
| LogP | 2.964900000000002 | RDKit |
| Molar Refractivity | 88.49800000000005 | RDKit |
