IUPAC name
3-(2-cyclopenten-1-yl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)C2C=CCC2)C1(C)C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
cyclethrin
IUPAC name
3-(2-cyclopenten-1-yl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)C2C=CCC2)C1(C)C)C
INCHI
InChI=1S/C21H28O3/c1-12(2)10-15-19(21(15,4)5)20(23)24-17-11-16(22)18(13(17)3)14-8-6-7-9-14/h6,8,10,14-15,17,19H,7,9,11H2,1-5H3
FORMULA
C21H28O3
Common name
cyclethrin
IUPAC name
3-(2-cyclopenten-1-yl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
Molecular weight
328.445
clogP
4.466
clogS
-3.633
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
43.37
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF01245 | cyclopentane |
|
C1CCCC1 | 0.0034 |
| FDBF01488 | 2-methylprop-1-ene |
|
C=C(C)C | 0.0131 |
| FDBF04528 | (1R)-2,2-dimethylcyclopropane-1-carboxylic acid |
|
CC1([C@@H](C1)C(=O)O)C | 0.0141 |
| FDBF04624 | (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid |
|
[C@H]1(C([C@@H]1C(=O)O)(C)C)C=C(C)C | 0.0041 |
| FDBF04758 | [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] (1R)-2,2-dimethylcyclopropane-1-carboxylate |
|
C1=C([C@H](CC1=O)OC(=O)[C@H]1C(C1)(C)C)C | 0.0034 |
| FDBF04820 | 2-cyclopentyl-3-methylcyclopenta-2,4-dien-1-one |
|
C1=CC(=O)C(=C1C)C1CCCC1 | 0.0003 |
| FDBF04821 | 3-methylcyclopenta-2,4-dien-1-one |
|
C1=CC(=O)C=C1C | 0.0007 |
| 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 |
11 ,
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