3-Hexyne

CAT: 0024-sc-238558ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238558ASize:25 g

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CAS Number

928-49-4

Chemical Information

3-Hexyne

CAS Number	928-49-4
PubChem CID	13568
IUPAC Name	hex-3-yne
Molecular Formula	C6H10
Molecular Weight	82.14
XLogP	2.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	60

SMILES

CCC#CCC

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3

InChIKey

DQQNMIPXXNPGCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 928-49-4

CID: 13568

Formula: C6H10

MW: 82.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	82.14
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	82.078250319
Monoisotopic Mass	82.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	60.5
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-231820	3-Methyl-1-hexyne
sc-230370	2-Hexyne
sc-237569	1-Hexyne
sc-227058	6-Chloro-1-hexyne
sc-237629	1-Trimethylsilyl-1-hexyne
sc-226989	5-Methyl-1-hexyne
sc-222726	1-Phenyl-1-hexyne
sc-278554	6-Phenyl-2-hexyne
sc-504476	6- (tert-Butyldimethylsilyloxy) -1-hexyne
sc-486871	3-Hexene