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14548-31-3 | 1-HEXEN-5-YNE
CAS No: 14548-31-3 Catalog No: AG001D33 MDL No:MFCD00060909
Product Description
Catalog Number:
AG001D33
Chemical Name:
1-HEXEN-5-YNE
CAS Number:
14548-31-3
Molecular Formula:
C6H8
Molecular Weight:
80.1277
MDL Number:
MFCD00060909
IUPAC Name:
hex-1-en-5-yne
InChI:
InChI=1S/C6H8/c1-3-5-6-4-2/h1,4H,2,5-6H2
InChI Key:
GHGNRQPVGKFJIR-UHFFFAOYSA-N
SMILES:
C=CCCC#C
Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.063g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
80.13g/mol
Monoisotopic Mass:
80.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Expanding cofactor repertoire of protein lysine methyltransferase for substrate labeling. | ACS chemical biology 20110715 |
| Cationic rhodium(I)-dppf complex-catalyzed olefin isomerization/propargyl Claisen rearrangement/carbonyl migration cascade. | Journal of the American Chemical Society 20090812 |
| Strategies for expanding structural diversity available from olefin isomerization-claisen rearrangement reactions. | The Journal of organic chemistry 20060818 |
| Diastereoselective allylations of allyl-propargyl hybrid cations: synthesis of conjugated 1,5-dien-7-yne frameworks bearing C(4)-stereogenic centers. | Organic letters 20040429 |
| Cobalt-catalyzed cycloisomerization of 1,6-enynes and allyl propargyl ethers. | Organic letters 20030710 |
| Diastereoselective synthesis of 2H,5H-dihydrofurans by cobalt-mediated cycloisomerization of allyl propargyl ethers. Application to poly-THF molecules. | Organic letters 20011227 |
| Novel carbon-carbon bond-forming reactions using carbocations produced from substituted propargyl silyl ethers by the action of TMSOTf. | The Journal of organic chemistry 20010629 |
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