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Home Other Building Blocks 2,2,3,3-TETRAMETHYLBUTANE

2,2,3,3-TETRAMETHYLBUTANE

CAS No.:
594-82-1
Catalog Number:
AG003F7V
Molecular Formula:
C8H18
Molecular Weight:
114.2285
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Product Description
Catalog Number:
AG003F7V
Chemical Name:
2,2,3,3-TETRAMETHYLBUTANE
CAS Number:
594-82-1
Molecular Formula:
C8H18
Molecular Weight:
114.2285
IUPAC Name:
2,2,3,3-tetramethylbutane
InChI:
InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
InChI Key:
OMMLUKLXGSRPHK-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)(C)C
EC Number:
209-855-6
UNII:
EB34RI15NY
NSC Number:
62039
Properties
Complexity:
55  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.141g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.232g/mol
Monoisotopic Mass:
114.141g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Radical cations of branched alkanes in solutions: time-resolved magnetic field effect and quantum chemical studies. The journal of physical chemistry. A 20120329
Examination of DFT and TDDFT methods II. The journal of physical chemistry. A 20091015
Benchmark thermochemistry of the C(n)H(2n+2) alkane isomers (n = 2-8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria. The journal of physical chemistry. A 20090723
Rate constants for OH with selected large alkanes: shock-tube measurements and an improved group scheme. The journal of physical chemistry. A 20090430
Pollutant emissions from gasoline combustion. 1. Dependence on fuel structural functionalities. Environmental science & technology 20080801
Kinetics and products of photolysis and reaction with OH radicals of a series of aromatic carbonyl compounds. Environmental science & technology 20060901
Kinetic acidity of aliphatic hydrocarbons. Hydrogen isotope exchange with cesium cyclohexylamide in cyclohexylamine. Journal of the American Chemical Society 20050629
Radical cation of a trimethylenemethane with a nondegenerate ground state. Journal of the American Chemical Society 20050216
Properties