chempirical

2,2,4-Trimethyl-4-nitropentane

C8H17NO2CAS 5342-78-9159.23 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C8H17NO2
Molar mass
159.23 g/mol
Exact mass
159.1259 Da
logP
2.48Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
5342-78-9
SMILES
CC(C)(C)CC(C)(C)[N+](=O)[O-]
InChIKey
CUEFTLGHWYSCTO-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO2/c1-7(2,3)6-8(4,5)9(10)11/h6H2,1-5H3

Weigh it out

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

Names and synonyms

7 names
  • 2-Nitro-2,4,4-trimethylpentane
  • Pentane, 2,2,4-trimethyl-4-nitro-
  • 4-Nitro-2,2,4-trimethylpentane
  • 2-Nitro-2,4-trimethylpentane
  • Pentane,2,4-trimethyl-4-nitro-
  • 2,2,4-Trimethyl-4-nitro-pentane
  • 2,4,4-Trimethyl-2-nitro-pentane

Work with 2,2,4-Trimethyl-4-nitropentane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-2-nitro-1,3-propanediol77-49-645 % similar Dmdnb3964-18-944 % similar 2-Methyl-2-nitropropane594-70-744 % similar Tris(hydroxymethyl)nitromethane126-11-439 % similar 2-Bromo-2-nitropropane5447-97-239 % similar 2-Chloro-2-nitropropane594-71-839 % similar 1,1-Dichloro-1-nitroethane594-72-939 % similar 2,2,4,4-Tetramethylpentane1070-87-736 % similar

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

Same formula

8-Aminooctanoic acid1002-57-9 3-(Aminomethyl)-5-methylhexanoic acid128013-69-4 3-(Aminomethyl)-5-methylhexanoic acid130912-52-6 Pregabalin148553-50-8 (±)-2-Aminooctanoic acid644-90-6 Octanohydroxamic acid7377-03-9

Elsewhere

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