IUPAC name
1-ethynyl-2-methyl-2-penten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
CCC=C(C)C(C#C)OC(=O)C1C(C=C(Cl)Cl)C1(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
chlorempenthrin
IUPAC name
1-ethynyl-2-methyl-2-penten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
CCC=C(C)C(C#C)OC(=O)C1C(C=C(Cl)Cl)C1(C)C
INCHI
InChI=1S/C16H20Cl2O2/c1-6-8-10(3)12(7-2)20-15(19)14-11(9-13(17)18)16(14,4)5/h2,8-9,11-12,14H,6H2,1,3-5H3
FORMULA
C16H20Cl2O2
Common name
chlorempenthrin
IUPAC name
1-ethynyl-2-methyl-2-penten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Molecular weight
315.235
clogP
4.792
clogS
-3.406
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
26.3
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 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF02358 | prop-2-ynyl formate |
|
O(C=O)CC#C | 0.0010 |
| 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 |
| FDBF04732 | 2-methylprop-2-enyl formate |
|
C(OC=O)C(=C)C | 0.0010 |
| FDBF04734 | methyl (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
COC(=O)[C@@H]1C(C1)(C)C | 0.0021 |
| FDBF04736 | methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate |
|
COC(=O)[C@@H]1C([C@@H]1C=C(Cl)Cl)(C)C | 0.0003 |
10 ,
2
