IUPAC name
[4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OCc2ccc(cc2)COC)C1(C)C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
methothrin
IUPAC name
[4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OCc2ccc(cc2)COC)C1(C)C)C
INCHI
InChI=1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3
FORMULA
C19H26O3
Common name
methothrin
IUPAC name
[4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
Molecular weight
302.408
clogP
4.562
clogS
-4.403
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
35.53
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF01388 | methoxymethylbenzene |
|
O(C)Cc1ccccc1 | 0.0045 |
| FDBF01488 | 2-methylprop-1-ene |
|
C=C(C)C | 0.0131 |
| FDBF03267 | methyl (1R)-2,2-dimethylcyclopropanecarboxylate |
|
C1(CC1C(=O)OC)(C)C | 0.0110 |
| 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 |
| FDBF04626 | methyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate |
|
COC(=O)[C@@H]1[C@@H](C1(C)C)C=C(C)C | 0.0031 |
| FDBF05264 | 1-(methoxymethyl)-4-methylbenzene |
|
O(C)Cc1ccc(cc1)C | 0.0003 |
11 ,
2
