3,4-Diethynyl-3-hexene-1,5-diyne
Product Information
Molecular Formula
C10H4
Molecular Weight
124.14
Synonyms
3-Hexene-1,5-diyne, 3,4-diethynyl-; 3,4-diethynylhex-3-en-1,5-diyne; tetraethynylethene; 3,4-Diethynylhexa-3-en-1,5-diyne; 3,4-Diethynyl-3-hexene-1,5-diyne; (3,4-Diethynyl-1,5-hexadiyne-3,4-diyl)radical
IUPAC Name
3,4-diethynylhex-3-en-1,5-diyne
SMILES
C#CC(=C(C#C)C#C)C#C
InChI
InChI=1S/C10H4/c1-5-9(6-2)10(7-3)8-4/h1-4H
InChI Key
MEXXLIUXUQOIGI-UHFFFAOYSA-N
Purity
98%
Computed Properties
XLogP3
2.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
4
Exact Mass
124.0313001276
Monoisotopic Mass
124.0313001276
Topological Polar Surface Area
0
Heavy Atom Count
10
Formal Charge
0
Complexity
279
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
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 19053585 | 2009-01-02 | Synthesis and characterization of tetrathiafulvalene-substituted di- and tetraethynylethenes with p-nitrophenyl acceptors | The Journal of organic chemistry |
| 16872161 | 2006-08-04 | Enediyne isomers of tetraethynylethene | The Journal of organic chemistry |
| 12877477 | 2003-07-21 | Donor-substituted peralkynylated 'radiaannulenes': novel all-carbon macrocycles with an intense intramolecular charge-transfer | Chemical communications (Cambridge, England) |
| 12112870 | 2002-01-01 | The art of acetylenic scaffolding: rings, rods, and switches | Chemical record (New York, N.Y.) |
