chempirical

Methoxyacetone

C4H8O2CAS 5878-19-388.11 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C4H8O2
Molar mass
88.11 g/mol
Exact mass
88.0524 Da
Density
0.9491 g/mL (at 20 °C)
Boiling point
116 °C
logP
0.22Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
5878-19-3
SMILES
COCC(C)=O
InChIKey
CUZLJOLBIRPEFB-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanone, 1-methoxy-
  • 2-Propanone, methoxy-
  • 1-Methoxy-2-propanone
  • 1-Methoxyacetone
  • Methoxymethyl methyl ketone
  • Methoxy-2-propanone
  • α-Methoxypropanone
  • α-Methoxyacetone
  • Methyl methoxymethyl ketone

Work with Methoxyacetone

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

1-(Acetyloxy)-2-propanone592-20-150 % similar 2-Methoxyethyl 3-oxobutanoate22502-03-046 % similar Methoxyacetyl chloride38870-89-246 % similar Methoxyacetic acid625-45-646 % similar Methyl methoxyacetate6290-49-946 % similar Hexane-2,5-dione110-13-445 % similar Dimethyl P-(2-oxopropyl)phosphonate4202-14-644 % similar Methyl acetoacetate105-45-342 % similar

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

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 Ethyl acetate141-78-6 1,4-Dioxane-D817647-74-4 2-Methylene-1,3-propanediol3513-81-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook