IUPAC name
2-propyn-1-yl (2E,4E)-3,7,11-trimethyl-2,4-dodecadienoate
SMILES
C#CCOC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
kinoprene
IUPAC name
2-propyn-1-yl (2E,4E)-3,7,11-trimethyl-2,4-dodecadienoate
SMILES
C#CCOC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)C
INCHI
InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3/b12-8+,17-14+
FORMULA
C18H28O2
Common name
kinoprene
IUPAC name
2-propyn-1-yl (2E,4E)-3,7,11-trimethyl-2,4-dodecadienoate
Molecular weight
276.414
clogP
5.250
clogS
-3.500
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
26.3
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 |
| FDBF01877 | prop-1-yne |
|
C#CC | 0.0082 |
| 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 |
| FDBF05216 | methyl (2E,4E)-3-methylhexa-2,4-dienoate |
|
C/C=C/C(=C/C(=O)OC)/C | 0.0003 |
11 ,
2
