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1,5-HEXADIYNE

CAS No.:
628-16-0
Catalog Number:
AG003DQT
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003DQT
Chemical Name:
1,5-HEXADIYNE
CAS Number:
628-16-0
MDL Number:
MFCD00014924
IUPAC Name:
hexa-1,5-diyne
InChI:
InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2
InChI Key:
YFIBSNDOVCWPBL-UHFFFAOYSA-N
EC Number:
211-029-5
UNII:
Z4BAA98LQQ
NSC Number:
155174
Properties
Complexity:
86.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
78.047g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
78.114g/mol
Monoisotopic Mass:
78.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
[12]Annulynes from 1,5-hexadiyne and potassium tert-butoxide? Franz sondheimer's hexadienynes! Angewandte Chemie (International ed. in English) 20100101
Factors relevant for the regioselective cyclopolymerization of 1,6-heptadiynes, N,N-dipropargylamines, N,N-dipropargylammonium salts, and dipropargyl ethers by Ru(IV)-alkylidene-based metathesis initiators. Journal of the American Chemical Society 20090114
First total synthesis of (5Z,9Z)-(+/-)-2-methoxy-5,9-octadecadienoic acid, a marine derived methoxylated analog of taxoleic acid. Chemistry and physics of lipids 20081101
Efficient ruthenium and copper cocatalzyed five-component coupling to form dipropargyl amines under mild conditions in water. Organic & biomolecular chemistry 20070207
Reactions involving di-trans-[12]annulenes. Journal of the American Chemical Society 20061213
2,6-hexadecadiynoic acid and 2,6-nonadecadiynoic acid: novel synthesized acetylenic fatty acids as potent antifungal agents. Lipids 20060501
An optimized semidetailed submechanism of benzene formation from propargyl recombination. The journal of physical chemistry. A 20060216
Sequential intermediates in the base-catalyzed conversion of bis(pi-conjugated propargyl) sulfones to 1,3-dihydrobenzo- and naphtho[c]thiophene-2,2-dioxides. The Journal of organic chemistry 20051125
[12]Annulynes. Journal of the American Chemical Society 20051123
Isomeric product distributions from the self-reaction of propargyl radicals. The journal of physical chemistry. A 20050714
UV-absorption spectra of the radical transients generated from the 193-nm photolysis of allene, propyne, and 2-butyne. The journal of physical chemistry. A 20050324
Total synthesis and biological evaluation of (5Z,9Z)-5,9-hexadecadienoic acid, an inhibitor of human topoisomerase I. Journal of natural products 20021101
Properties