chempirical

3-Methyl-2-butenoyl chloride

C5H7ClOCAS 3350-78-5118.56 g/mol

Open in Covalent MOL file
OCl
Acyl halideAlkene

Properties

Molecular formula
C5H7ClO
Molar mass
118.56 g/mol
Exact mass
118.0185 Da
Boiling point
146 °C
logP
1.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
3350-78-5
SMILES
CC(C)=CC(=O)Cl
InChIKey
BDUBTLFQHNYXPC-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 2-Butenoyl chloride, 3-methyl-
  • Crotonoyl chloride, 3-methyl-
  • Senecioyl chloride
  • β,β-Dimethylacryloyl chloride
  • β,β-Dimethylacrylyl chloride
  • β-Methylcrotonoyl chloride
  • β,β-Dimethylacrylic acid chloride
  • 3,3-Dimethylacryloyl chloride
  • 3-Methylcrotonoyl chloride
  • γ,γ-Dimethylacryloyl chloride
  • 3,3-Dimethylacrylic acid chloride
  • 3,3-Dimethylacrylyl chloride

Work with 3-Methyl-2-butenoyl chloride

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

Phorone504-20-148 % similar 2-Butenoyl chloride10487-71-543 % similar trans-Crotonyl chloride625-35-443 % similar Acryloyl chloride814-68-639 % similar Ethyl 3,3-dimethylacrylate638-10-834 % similar 3-Ethoxy-2-propenoyl chloride6191-99-733 % similar Acetyl chloride75-36-532 % similar 2-Chloro-5-methyl-1,4-benzoquinone19832-87-231 % similar

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

Same formula

Cyclobutanecarbonyl chloride5006-22-4 2-Chlorocyclopentanone694-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook