chempirical

1-Chloro-3-methyl-2-butene

C5H9ClCAS 503-60-6104.58 g/mol

Open in Covalent MOL file
Cl
AlkeneAlkyl halide

Properties

Molecular formula
C5H9Cl
Molar mass
104.58 g/mol
Exact mass
104.0393 Da
Density
0.9273 g/mL (at 20 °C)
Boiling point
109 °C
logP
2.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
503-60-6
SMILES
CC(C)=CCCl
InChIKey
JKXQKGNGJVZKFA-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Butene, 1-chloro-3-methyl-
  • Prenyl chloride
  • 2-Methyl-4-chloro-2-butene
  • γ,γ-Dimethylallyl chloride
  • 3,3-Dimethylallyl chloride
  • 3-Methyl-2-butenyl chloride
  • 4-Chloro-2-methyl-2-butene
  • 3-Methylcrotyl chloride
  • 1,1-Dimethyl-3-chloro-1-propene
  • Isoprenyl chloride
  • 3-Methyl-1-chloro-2-butene

Work with 1-Chloro-3-methyl-2-butene

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

1,3-Dichloro-2-butene926-57-852 % similar 2-Methyl-2-pentene625-27-445 % similar Prenylthiol5287-45-643 % similar Prenol556-82-143 % similar Prenyl bromide870-63-343 % similar Squalene111-02-436 % similar Sulcatone110-93-035 % similar β-Ocimene13877-91-335 % similar

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

Same formula

Chlorocyclopentane930-28-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook