chempirical

Methyl vinyl ketone

C4H6OCAS 78-94-470.09 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C4H6O
Molar mass
70.09 g/mol
Exact mass
70.0419 Da
Density
0.8407 g/mL (at 25 °C)
Melting point
below 25 °C
Boiling point
81.4 °C
logP
0.76Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
78-94-4
SMILES
C=CC(C)=O
InChIKey
FUSUHKVFWTUUBE-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3

Weigh it out

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

Names and synonyms

7 names
  • 3-Buten-2-one
  • Vinyl methyl ketone
  • 1-Buten-3-one
  • 2-Butenone
  • 3-Oxobutene
  • 3-Oxo-1-butene
  • NSC 4853

Work with Methyl vinyl ketone

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

Methylglyoxal78-98-845 % similar 3-Penten-2-one625-33-243 % similar Isoprene78-79-538 % similar Polyisoprene9003-31-038 % similar 4-Amino-3-penten-2-one1118-66-738 % similar 1-Penten-3-one1629-58-938 % similar N,N-Dimethylacrylamide2680-03-738 % similar 2-Oxopropanal 1-oxime306-44-538 % similar

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

Same formula

Divinyl ether109-93-3 Cyclobutanone1191-95-3 2,3-Dihydrofuran1191-99-7 trans-Crotonaldehyde123-73-9 Cyclopropanecarboxaldehyde1489-69-6 2,5-Dihydrofuran1708-29-8 3-Butyn-2-ol2028-63-9 (S)-(-)-1-Butyn-3-ol2914-69-4

Elsewhere

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