IUPAC name
S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienethioate
SMILES
CCSC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
triprene
IUPAC name
S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienethioate
SMILES
CCSC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC
INCHI
InChI=1S/C18H32O2S/c1-7-21-17(19)14-16(3)11-8-10-15(2)12-9-13-18(4,5)20-6/h8,11,14-15H,7,9-10,12-13H2,1-6H3/b11-8+,16-14+
FORMULA
C18H32O2S
Common name
triprene
IUPAC name
S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienethioate
Molecular weight
312.510
clogP
5.414
clogS
-4.287
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
51.6
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 |
| FDBF00124 | 2-methylpentane |
|
C(C)CC(C)C | 0.0052 |
| FDBF00684 | 2-methoxypropane |
|
C(C)(OC)C | 0.0031 |
| 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 |
| FDBF05561 | (2E)-3-methylpenta-2,4-dienethioic S-acid |
|
SC(=O)/C=C(/C=C)\C | 0.0003 |
12 ,
2
