1,3-Dibromo-2,2-dimethoxypropane

C₅H₁₀Br₂O₂CAS 22094-18-4261.94 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₅H₁₀Br₂O₂
Molar mass: 261.94 g/mol
Exact mass: 259.9048 Da
logP: 1.77Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

22094-18-4

SMILES

COC(CBr)(CBr)OC

InChIKey

CPAHOXOBYHMHDT-UHFFFAOYSA-N

InChI

InChI=1S/C5H10Br2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3

Weigh it out

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Work with 1,3-Dibromo-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-dimethoxypropane126-38-552 % similar 2,2-Dimethoxypropane77-76-937 % similar 1-Bromo-2,2-dimethylpropane630-17-135 % similar (3,3-Dimethoxycyclobutyl)methanol175021-11-135 % similar Tetramethoxymethane1850-14-233 % similar 1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-333 % similar 2-Bromoisobutyl bromide594-34-333 % similar 3-(Bromomethyl)-3-methyloxetane78385-26-933 % similar

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

Same formula

2,2-Bis(bromomethyl)-1,3-propanediol3296-90-0

Elsewhere

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