chempirical

Ethylacrolein

C5H8OCAS 922-63-484.12 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.849 g/mL (at 20 °C)
Boiling point
92.5 °C
logP
1.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
922-63-4
SMILES
C=C(C=O)CC
InChIKey
GMLDCZYTIPCVMO-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Butanal, 2-methylene-
  • Butyraldehyde, 2-methylene-
  • 2-Methylenebutanal
  • α-Ethylacrolein
  • 2-Ethyl-2-propenal
  • Ethacrolein
  • α-Ethylacrylaldehyde
  • 2-Ethylacrolein
  • 2-Ethylpropenal
  • 2-Formyl-1-butene
  • 2-Methylenebutyraldehyde
  • 2-Methylidenebutanal

Work with Ethylacrolein

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

Methacrolein78-85-338 % similar 3-Methylenepentane760-21-436 % similar 4-Hexen-3-one2497-21-433 % similar 2-Methyl-1-butene563-46-233 % similar (E)-2-Methyl-2-pentenal14250-96-532 % similar 2-Methyl-2-pentenal623-36-932 % similar 2-Bromo-1-butene23074-36-432 % similar Ethyl glyoxylate924-44-731 % similar

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

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook