chempirical

2-(2-Bromoethyl)-1,3-dioxane

C6H11BrO2CAS 33884-43-4195.06 g/mol

Open in Covalent MOL file
BrOO
AcetalAlkyl halideEther

Properties

Molecular formula
C6H11BrO2
Molar mass
195.06 g/mol
Exact mass
193.9942 Da
Boiling point
68–70 °C (at 3 Torr)
logP
1.53Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
33884-43-4
SMILES
BrCCC1OCCCO1
InChIKey
WMDHQEHPOVOEOG-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Dioxane, 2-(2-bromoethyl)-
  • m-Dioxane, 2-(2-bromoethyl)-
  • 2-(β-Bromoethyl)-1,3-dioxane
  • 3,3-(Trimethylenedioxy)propyl bromide
  • 2-(1,3-Dioxan-2-yl)ethyl bromide

Work with 2-(2-Bromoethyl)-1,3-dioxane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2-Bromoethyl)-1,3-dioxolane18742-02-479 % similar 2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-665 % similar 3-Bromo-1,1-dimethoxypropane36255-44-446 % similar 2-(2-Bromoethyl)oxirane13287-42-842 % similar 2-(Bromomethyl)-1,3-dioxolane4360-63-839 % similar 2-Cyclohexylethyl bromide1647-26-338 % similar Propargyl tetrahydropyranyl ether6089-04-937 % similar 1-Bromo-3-methoxypropane36865-41-536 % similar

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

Same formula

Ethyl 4-bromobutyrate2969-81-5 6-Bromohexanoic acid4224-70-8 4-Acetoxy-1-bromobutane4753-59-7 tert-Butyl bromoacetate5292-43-3 Ethyl α-bromobutyrate533-68-6 Methyl 5-bromopentanoate5454-83-1 Ethyl 2-bromoisobutyrate600-00-0 2-Bromohexanoic acid616-05-7

Elsewhere

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