IUPAC name
(1S)-2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
C#CCC1=C(C)[C@H](CC1=O)OC(=O)C1C(C=C(Cl)Cl)C1(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
d-fanshiluquebingjuzhi
IUPAC name
(1S)-2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
C#CCC1=C(C)[C@H](CC1=O)OC(=O)C1C(C=C(Cl)Cl)C1(C)C
INCHI
InChI=1S/C17H18Cl2O3/c1-5-6-10-9(2)13(8-12(10)20)22-16(21)15-11(7-14(18)19)17(15,3)4/h1,7,11,13,15H,6,8H2,2-4H3/t11?,13-,15?/m0/s1
FORMULA
C17H18Cl2O3
Common name
d-fanshiluquebingjuzhi
IUPAC name
(1S)-2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Molecular weight
341.229
clogP
4.709
clogS
-3.881
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
43.37
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF01877 | prop-1-yne |
|
C#CC | 0.0082 |
| 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 |
| FDBF04757 | [(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl] formate |
|
CC1=C([C@H](CC1=O)OC=O)C | 0.0031 |
| FDBF04760 | [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate |
|
C1=C([C@H](CC1=O)OC=O)C | 0.0031 |
| FDBF04848 | [(1S)-2-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]1CC(=O)C=C1C | 0.0003 |
| FDBF04849 | [(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
CC1=C([C@H](CC1=O)OC(=O)[C@@H]1C(C1)(C)C)C | 0.0003 |
| 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 |
12 ,
2
