1-Bromo-2,2-dimethoxypropane

C₅H₁₁BrO₂CAS 126-38-5183.04 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₅H₁₁BrO₂
Molar mass: 183.04 g/mol
Exact mass: 181.9942 Da
Boiling point: 81–83 °C (at 70 Torr)
logP: 1.39Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

126-38-5

SMILES

COC(C)(CBr)OC

InChIKey

SGTITUFGCGGICE-UHFFFAOYSA-N

InChI

InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

Bromoacetone dimethyl ketal
Propane, 1-bromo-2,2-dimethoxy-
2-Propanone, bromo-, dimethyl acetal

Work with 1-Bromo-2,2-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-Bromo-2,2-dimethylpropane630-17-138 % similar 2-Bromoisobutyl bromide594-34-336 % similar 3-(Bromomethyl)-3-methyloxetane78385-26-936 % similar Trimethyl orthoacetate1445-45-033 % similar Methyl tert-butyl ether1634-04-433 % similar 2,2-Dimethoxypropane77-76-933 % similar tert-Amyl methyl ether994-05-832 % similar Tetramethoxymethane1850-14-230 % similar

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

Same formula

3-Bromo-1,1-dimethoxypropane36255-44-4 1-Bromo-2-(2-methoxyethoxy)ethane54149-17-6

Elsewhere

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