IUPAC name
1-methylethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate
SMILES
CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
methoprene
IUPAC name
1-methylethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate
SMILES
CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC
INCHI
InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+
FORMULA
C19H34O3
Common name
methoprene
IUPAC name
1-methylethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate
Molecular weight
310.471
clogP
5.122
clogS
-3.949
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
35.53
Number of Rings
0
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00115 | 2-methylbutane |
|
C(C)(C)CC | 0.0103 |
| FDBF00684 | 2-methoxypropane |
|
C(C)(OC)C | 0.0031 |
| FDBF05144 | (2E,4E)-3-methylhexa-2,4-dienoic acid |
|
O=C(O)/C=C(/C=C/C)\C | 0.0010 |
| FDBF05146 | (2E)-3-methylpenta-2,4-dienoic acid |
|
O=C(O)/C=C(/C=C)\C | 0.0010 |
| FDBF05261 | 2-methoxy-2-methylbutane |
|
O(C)C(CC)(C)C | 0.0007 |
| FDBF05262 | 2-methoxy-2-methylpentane |
|
C(C(C)(C)OC)CC | 0.0007 |
12 ,
2
