IUPAC name
1-cyano-2-methyl-2-penten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
CCC=C(C)C(C#N)OC(=O)C1C(C=C(Cl)Cl)C1(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
pentmethrin
IUPAC name
1-cyano-2-methyl-2-penten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
CCC=C(C)C(C#N)OC(=O)C1C(C=C(Cl)Cl)C1(C)C
INCHI
InChI=1S/C15H19Cl2NO2/c1-5-6-9(2)11(8-18)20-14(19)13-10(7-12(16)17)15(13,3)4/h6-7,10-11,13H,5H2,1-4H3
FORMULA
C15H19Cl2NO2
Common name
pentmethrin
IUPAC name
1-cyano-2-methyl-2-penten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Molecular weight
316.223
clogP
4.101
clogS
-3.409
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
50.09
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00077 | (Z)-pent-2-ene |
|
C(C)C=CC | 0.0065 |
| FDBF03080 | 1,1-dimethylcyclopropane |
|
C1(CC1)(C)C | 0.0086 |
| FDBF03266 | (2S)-2-(2,2-dichlorovinyl)-1,1-dimethyl-cyclopropane |
|
C1(C(C1)C=C(Cl)Cl)(C)C | 0.0017 |
| FDBF03270 | 1,1-dichloroethylene |
|
ClC(=C)Cl | 0.0072 |
| FDBF05312 | cyanomethyl formate |
|
C(C#N)OC=O | 0.0003 |
6 ,
1
