chempirical

Neopentane

C5H12CAS 463-82-172.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C5H12
Molar mass
72.15 g/mol
Exact mass
72.0939 Da
Density
0.613 g/mL (at 0 °C)
Melting point
−16.6 °C
Boiling point
9.5 °C
logP
2.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
463-82-1
SMILES
CC(C)(C)C
InChIKey
CRSOQBOWXPBRES-UHFFFAOYSA-N
InChI
InChI=1S/C5H12/c1-5(2,3)4/h1-4H3

Weigh it out

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

Names and synonyms

5 names
  • Propane, 2,2-dimethyl-
  • 2,2-Dimethylpropane
  • tert-Pentane
  • Tetramethylmethane
  • 1,1,1-Trimethylethane

Work with Neopentane

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

Pinacol76-09-536 % similar Tetramethylbutane594-82-133 % similar

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

Same formula

Pentane109-66-0 Isopentane78-78-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia