4-Pentenal

CAT: 0024-sc-267719Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-267719Size:1 g

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CAS Number

2100-17-6

Chemical Information

4-Pentenal

4-Pentenal is an aldehyde.

CAS Number	2100-17-6
PubChem CID	16418
IUPAC Name	pent-4-enal
Molecular Formula	C5H8O
Molecular Weight	84.12
XLogP	0.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	47

SMILES

C=CCCC=O

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2

InChIKey

QUMSUJWRUHPEEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2100-17-6

CID: 16418

Formula: C5H8O

MW: 84.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	84.12
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	84.057514874
Monoisotopic Mass	84.057514874
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	47.9
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

Catalog	Name
sc-237169	Trans-2-Pentenal
sc-267631	4-Methyl-2-phenyl-2-pentenal, (E) + (Z)
sc-230507	2-Methyl-2-pentenal
sc-486087	Trans-2-Methyl-2-pentenal
sc-265889	2-Phenyl-2-pentenal, (E) + (Z)
sc-289671	4-Acetoxy-4-methyl-1-pentanal
sc-289671B	4-Acetoxy-4-methyl-1-pentanal
sc-289671A	4-Acetoxy-4-methyl-1-pentanal
sc-233013	4,4-Dimethyl-2-pentanol
sc-277612	(4-Pentenyl) triphenylphosphonium bromide