Piperonyl Butoxide

CAT: 0024-sc-208174Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-208174Size:25 g

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CAS Number

51-03-6

Chemical Information

Piperonyl Butoxide

Piperonyl butoxide is a member of benzodioxoles. It has a role as a pesticide synergist.

CAS Number	51-03-6
PubChem CID	5794
IUPAC Name	5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
Molecular Formula	C19H30O5
Molecular Weight	338.4
XLogP	3.7
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	13
Heavy Atom Count	24
Formal Charge	0
Complexity	312

SMILES

CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2

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

InChIKey

FIPWRIJSWJWJAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51-03-6

CID: 5794

Formula: C19H30O5

MW: 338.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.4
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	13
Exact Mass	338.20932405
Monoisotopic Mass	338.20932405
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes