1-Hexen-3-yne

1-Hexen-3-yne
Compound Structure:
Synonyms: 1-Hexen-3-yne;hex-1-en-3-yne;13721-54-5;Ethylvinylacetylene;Vinylethylacetylene;1-Hexene-3-yne
Compound ID: NMPC-084
PubChem ID:

139568
Molecular Formula: C6H8
Canonical SMILES: CCC#CC=C
InChIKey: BYSRUWKGUGERFI-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

80.13 g/mol

XLogP3-AA

2.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

80.062600255 g/mol

Monoisotopic Mass

80.062600255 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

6

Formal Charge

0

Complexity

87.1

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

Source: PubChem

                                                         
Source Species: Terminalia catappa
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