chempirical

Tetramethylbutane

C8H18CAS 594-82-1114.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C8H18
Molar mass
114.23 g/mol
Exact mass
114.1409 Da
Density
0.823 g/mL (at 23 °C)
Melting point
100.7 °C
Boiling point
106.4 °C
logP
3.08Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
594-82-1
SMILES
CC(C)(C)C(C)(C)C
InChIKey
OMMLUKLXGSRPHK-UHFFFAOYSA-N
InChI
InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Butane, 2,2,3,3-tetramethyl-
  • 2,2,3,3-Tetramethylbutane
  • Ethane, hexamethyl-
  • Hexamethylethane
  • NSC 62039

Work with Tetramethylbutane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Neopentane463-82-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Octane111-65-9 2,2,4-Trimethylpentane540-84-1 2,2,3-Trimethylpentane564-02-3 2,3,4-Trimethylpentane565-75-3 3,4-Dimethylhexane583-48-2 2,3-Dimethylhexane584-94-1 (±)-2,4-Dimethylhexane589-43-5 4-Methylheptane589-53-7

Elsewhere

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