chempirical

3-Methyl-2-butenal

C5H8OCAS 107-86-884.12 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.9 g/mL
Melting point
−20 °C
Boiling point
136 °C
logP
1.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
107-86-8
SMILES
CC(C)=CC=O
InChIKey
SEPQTYODOKLVSB-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 2-Butenal, 3-methyl-
  • Crotonaldehyde, 3-methyl-
  • Senecialdehyde
  • β,β-Dimethylacrolein
  • 2-Methyl-2-buten-4-al
  • Senecioaldehyde
  • 3-Methyl-2-buten-1-al
  • 3-Methylcrotonaldehyde
  • 3,3-Dimethylacrolein
  • β-Methylcrotonaldehyde
  • Prenal
  • β,β-Dimethylacrylic aldehyde
  • NSC 149164
  • 3-Methyl-2-butenaldehyde
  • 3,3-Dimethylacrylaldehyde
  • Prenylaldehyde

Work with 3-Methyl-2-butenal

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

Same formula

3-Pentyn-1-ol10229-10-4 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 4-Pentenal2100-17-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook