1,5-Hexadiyne

CAT: 0024-sc-273653Size: 2 gDry Ice: NoHazardous: No

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CAT#:0024-sc-273653Size:2 g

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CAS Number

628-16-0

Chemical Information

Dipropargyl

Hexa-1,5-diyne is an alkadiyne and a terminal acetylenic compound.

CAS Number	628-16-0
PubChem CID	69402
IUPAC Name	hexa-1,5-diyne
Molecular Formula	C6H6
Molecular Weight	78.11
XLogP	1.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	86

SMILES

C#CCCC#C

InChI

InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2

InChIKey

YFIBSNDOVCWPBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 628-16-0

CID: 69402

Formula: C6H6

MW: 78.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	78.11
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	78.0469501914
Monoisotopic Mass	78.0469501914
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	86.5
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-266106	2,4-Hexadiyne
sc-223108	1,6-Diphenoxy-2,4-hexadiyne
sc-231000	2,4-Hexadiyne-1,6-diol
sc-255949	1,5-Hexadiene
sc-486872	2,4-Hexadiyne-1,6-diol Bis (azobenzene-4-sulfonate)
sc-224960	(-) -1,6-Bis (2-chlorophenyl) -1,6-diphenyl-2,4-hexadiyne-1,6-diol
sc-486890	1,5-Hexadiene Diepoxide
sc-251604	(+) -1,6-Bis- (2-chlorophenyl) -1,6-diphenyl-2,4-hexadiyne-1,6-diol
sc-256347	2,5-Dimethyl-1,5-hexadiene
sc-504119	2-Bromo-1,5-hexadiene