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2,3-Dimethylbutane

CAS No.:
79-29-8
Catalog Number:
AG003FKD
Molecular Formula:
C6H14
Molecular Weight:
86.1754
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Product Description
Catalog Number:
AG003FKD
Chemical Name:
2,3-Dimethylbutane
CAS Number:
79-29-8
Molecular Formula:
C6H14
Molecular Weight:
86.1754
MDL Number:
MFCD00008925
IUPAC Name:
2,3-dimethylbutane
InChI:
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChI Key:
ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
SMILES:
CC(C(C)C)C
EC Number:
201-193-6
UNII:
68ISQ7A432
NSC Number:
24837
UN Number:
2457
Properties
Complexity:
21  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.11g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
86.178g/mol
Monoisotopic Mass:
86.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Chemical properties of air pollutants and cause-specific hospital admissions among the elderly in Atlanta, Georgia. Environmental health perspectives 20111001
13C NMR studies of hydrocarbon guests in synthetic structure H gas hydrates: experiment and computation. The journal of physical chemistry. A 20110310
Side-chain effects on the electronic relaxation of radicals followed by time-resolved pump-probe spectroscopy: 2,3-dimethylbut-2-yl vs tert-butyl. The journal of physical chemistry. A 20100311
Metathesis of alkanes and related reactions. Accounts of chemical research 20100216
Selective and unexpected transformations of 2-methylpropane to 2,3-dimethylbutane and 2-methylpropene to 2,3-dimethylbutene catalyzed by an alumina-supported tungsten hydride. Chemical communications (Cambridge, England) 20090514
Rate constants for OH with selected large alkanes: shock-tube measurements and an improved group scheme. The journal of physical chemistry. A 20090430
Selective methylative homologation: an alternate route to alkane upgrading. Journal of the American Chemical Society 20080910
Emission factors and characteristics of criteria pollutants and volatile organic compounds (VOCs) in a freeway tunnel study. The Science of the total environment 20070801
Radical cations of branched alkanes as observed in irradiated solutions by the method of time-resolved magnetic field effect. The journal of physical chemistry. A 20070705
Effects of molecular size and structure on self-diffusion coefficient and viscosity for saturated hydrocarbons having six carbon atoms. Journal of oleo science 20070101
Measurement and estimation of rate constants for the reactions of hydroxyl radical with several alkanes and cycloalkanes. The journal of physical chemistry. A 20060316
Ru3(CO)12-catalyzed silylation of benzylic C-H bonds in arylpyridines and arylpyrazoles with hydrosilanes via C-H bond cleavage. Journal of the American Chemical Society 20041013
Properties