IUPAC name
2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl 2,2,3,3-tetramethylcyclopropanecarboxylate
SMILES
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C)(C)C1(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
terallethrin
IUPAC name
2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl 2,2,3,3-tetramethylcyclopropanecarboxylate
SMILES
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C)(C)C1(C)C
INCHI
InChI=1S/C17H24O3/c1-7-8-11-10(2)13(9-12(11)18)20-15(19)14-16(3,4)17(14,5)6/h7,13-14H,1,8-9H2,2-6H3
FORMULA
C17H24O3
Common name
terallethrin
IUPAC name
2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl 2,2,3,3-tetramethylcyclopropanecarboxylate
Molecular weight
276.371
clogP
4.258
clogS
-3.948
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
43.37
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF04569 | [(1R)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl] formate |
|
CC1=C([C@@H](CC1=O)OC=O)C | 0.0014 |
| FDBF04573 | [(1R)-2-methyl-4-oxocyclopent-2-en-1-yl] formate |
|
C1=C([C@@H](CC1=O)OC=O)C | 0.0014 |
| FDBF05385 | [(1S,5R)-3,5-dimethyl-4-oxocyclopent-2-en-1-yl] formate |
|
C1(=C[C@@H]([C@H](C1=O)C)OC=O)C | 0.0052 |
| FDBF05386 | [(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
[C@H]1(C(C1)(C)C)C(=O)O[C@@H]1[C@H](C(=O)C=C1)C | 0.0052 |
| FDBF05387 | [(1S,5R)-3,5-dimethyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
[C@H]1(C(C1)(C)C)C(=O)O[C@@H]1[C@H](C(=O)C(=C1)C)C | 0.0052 |
| FDBF05388 | [(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl] formate |
|
C1=C[C@@H]([C@H](C1=O)C)OC=O | 0.0052 |
| FDBF05508 | [(1R)-2-methyl-4-oxocyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate |
|
C1(C(C1(C)C)(C)C)C(=O)O[C@@H]1CC(=O)C=C1C | 0.0003 |
| FDBF05509 | 1,1,2,2-tetramethylcyclopropane |
|
C1C(C1(C)C)(C)C | 0.0003 |
9 ,
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