chempirical

Methacrolein

C4H6OCAS 78-85-370.09 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C4H6O
Molar mass
70.09 g/mol
Exact mass
70.0419 Da
Density
0.849 g/mL (at 25 °C)
Melting point
−81 °C
Boiling point
68.4 °C
logP
0.76Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
78-85-3
SMILES
C=C(C)C=O
InChIKey
STNJBCKSHOAVAJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3

Weigh it out

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

Names and synonyms

17 names · show all
  • 2-Propenal, 2-methyl-
  • Methacrylaldehyde
  • 2-Methyl-2-propenal
  • Isobutenal
  • Methacrylic aldehyde
  • α-Methylacrolein
  • 2-Methylacrolein
  • Methylacrylaldehyde
  • Methylacrolein
  • 2-Methylpropenal
  • 2-Methyl-2-propen-1-al
  • 2-Methylenepropanal
  • α-Methacrolein
  • α-Methylacrylaldehyde
  • 2-Formyl-1-propene
  • 2-Methacrolein
  • NSC 8260

Work with Methacrolein

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

Isoprene78-79-545 % similar Polyisoprene9003-31-045 % similar 2-Methyl-1,3-pentadiene1118-58-743 % similar Methylglyoxal78-98-838 % similar Ethylacrolein922-63-438 % similar trans-2-Methyl-2-butenal497-03-035 % similar 3-Methyl-2-butenal107-86-832 % similar (E)-2-Methyl-2-pentenal14250-96-531 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia