1,5-Hexadiene

CAT: 0024-sc-255949Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-255949Size:25 g

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CAS Number

592-42-7

Chemical Information

1,5-Hexadiene

structure in first source

CAS Number	592-42-7
PubChem CID	11598
IUPAC Name	hexa-1,5-diene
Molecular Formula	C6H10
Molecular Weight	82.14
XLogP	2.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	36

SMILES

C=CCCC=C

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2

InChIKey

PYGSKMBEVAICCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 592-42-7

CID: 11598

Formula: C6H10

MW: 82.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	82.14
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	82.078250319
Monoisotopic Mass	82.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	36
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-486397	Trans-1,4-Hexadiene
sc-234374	Cis-1,4-Hexadiene
sc-303916	1,1,1,2,3-Pentafluoro-2,5-hexadiene
sc-303916A	1,1,1,2,3-Pentafluoro-2,5-hexadiene
sc-238383	2,5-Dimethyl-2,4-hexadiene
sc-222990	1,3-Hexadiene, mixture of cis and trans
sc-223058A	1,4-Hexadiene, mixture of cis and trans
sc-222990A	1,3-Hexadiene, mixture of cis and trans
sc-223058	1,4-Hexadiene, mixture of cis and trans
sc-256323A	2,4-Hexadiene, mixture of isomers