chempirical

3-Bromo-1,1-dimethoxypropane

C5H11BrO2CAS 36255-44-4183.05 g/mol

Open in Covalent MOL file
OBrO
AcetalAlkyl halideEther

Properties

Molecular formula
C5H11BrO2
Molar mass
183.05 g/mol
Exact mass
181.9942 Da
Density
1.341 g/mL (at 18 °C)
Boiling point
58–60 °C (at 17 Torr)
logP
1.39Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
36255-44-4
SMILES
COC(CCBr)OC
InChIKey
ODZZAIFAQLODKN-UHFFFAOYSA-N
InChI
InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Propane, 3-bromo-1,1-dimethoxy-
  • 3-Bromopropionaldehyde dimethylacetal
  • 1-Bromo-3,3-dimethoxypropane
  • 3-Bromopropanal dimethyl acetal
  • 3,3-Dimethoxypropyl bromide
  • 1,1-Dimethoxy-3-bromopropane

Work with 3-Bromo-1,1-dimethoxypropane

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

1,1,3-Trimethoxypropane14315-97-055 % similar 2-Bromo-1,1-dimethoxyethane7252-83-752 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-450 % similar 2,5-Dimethoxytetrahydrofuran696-59-348 % similar 2-(2-Bromoethyl)-1,3-dioxane33884-43-446 % similar 1,1,2-Trimethoxyethane24332-20-545 % similar 1,1,3,3-Tetramethoxypropane102-52-345 % similar 4,4-Dimethoxy-1-butanamine19060-15-244 % similar

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

Same formula

1-Bromo-2,2-dimethoxypropane126-38-5 1-Bromo-2-(2-methoxyethoxy)ethane54149-17-6

Elsewhere

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