IUPAC name
5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole
SMILES
CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
Compound class
Pesticide Synergists;
Therapeutic area
For the treatment of head, pubic (crab), and body lice.
Common name
Piperonyl butoxide
IUPAC name
5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole
SMILES
CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
INCHI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
FORMULA
C19H30O5
Common name
Piperonyl butoxide
IUPAC name
5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole
Molecular weight
338.438
clogP
5.193
clogS
-5.859
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
46.15
Number of Rings
2
Rotatable Bond
13
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00603 | ethoxyethane |
|
O(CC)CC | 0.0058 |
| FDBF00805 | 2-methoxyethanol |
|
C(OC)CO | 0.0072 |
| FDBF01249 | 2-ethoxyethanol |
|
CCOCCO | 0.0024 |
| FDBF01411 | 1,2-dimethoxyethane |
|
C(OC)COC | 0.0027 |
| FDBF01679 | 1,3-benzodioxole |
|
O1c2ccccc2OC1 | 0.0014 |
| FDBF04447 | 1,3-benzodioxol-5-ylmethanol |
|
C(O)c1ccc2c(c1)OCO2 | 0.0003 |
| FDBF04448 | (6-methyl-1,3-benzodioxol-5-yl)methanol |
|
C(O)c1c(cc2c(c1)OCO2)C | 0.0003 |
| FDBF04450 | (6-propyl-1,3-benzodioxol-5-yl)methanol |
|
C(O)c1c(cc2c(c1)OCO2)CCC | 0.0003 |
21 ,
3
