Cas no 4911-60-8 (3-Hexyne, 2,2-dimethyl-)
3-Hexyne, 2,2-dimethyl- structure
Product Name:3-Hexyne, 2,2-dimethyl-
3-Hexyne, 2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexyne, 2,2-dimethyl-
- 2,2-DIMETHYL-3-HEXYNE
- 2,2-dimethylhex-3-yne
- 2,2-Dimethyl-3-hexin
- 2,2-Dimethyl-hex-3-in
- 2,2-dimethyl-hex-3-yne
- 2,2-Dimethyl-hexin-3
- 3-Hexyne,2,2-dimethyl
- ethyl-t-butylethyne
- 4911-60-8
- FT-0691342
- XYBFBXTUWDPXLK-UHFFFAOYSA-N
- AKOS006272637
- DTXSID50197696
- InChI=1/C8H14/c1-5-6-7-8(2,3)4/h5H2,1-4H
-
- Inchi： 1S/C8H14/c1-5-6-7-8(2,3)4/h5H2,1-4H3
- InChI Key： XYBFBXTUWDPXLK-UHFFFAOYSA-N
- SMILES： C(C#CCC)(C)(C)C
Computed Properties
- Exact Mass: 110.11000
- Monoisotopic Mass: 110.109550447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.7585 (estimate)
- Melting Point: -86.55°C (estimate)
- Boiling Point: 126.55°C (estimate)
- Refractive Index: 1.4073 (estimate)
- PSA: 0.00000
- LogP: 2.44590
3-Hexyne, 2,2-dimethyl- Related Literature
-
Nicolas Popoff,Etienne Mazoyer,Jérémie Pelletier,Régis M. Gauvin,Mostafa Taoufik Chem. Soc. Rev. 2013 42 9035
-
2. 176. Complexes of acetylenes with platinum(II). Part I. AlkynesJ. Chatt,R. G. Guy,L. A. Duncanson J. Chem. Soc. 1961 827
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