3-(Bromomethyl)-3-methyloxetane

C₅H₉BrOCAS 78385-26-9165.03 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₅H₉BrO
Molar mass: 165.03 g/mol
Exact mass: 163.9837 Da
logP: 1.42Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

78385-26-9

SMILES

CC1(CBr)COC1

InChIKey

MGBZKWOJRYGRTO-UHFFFAOYSA-N

InChI

InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

2 names

Oxetane, 3-(bromomethyl)-3-methyl-
Oxetane, 2-(bromomethyl)-3-methyl-

Work with 3-(Bromomethyl)-3-methyloxetane

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

3,3-Bis(bromomethyl)oxetane2402-83-748 % similar 1-Bromo-2,2-dimethylpropane630-17-138 % similar 2-Bromoisobutyl bromide594-34-336 % similar 1-Bromo-2,2-dimethoxypropane126-38-536 % similar

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

Same formula

2-(Bromomethyl)tetrahydrofuran1192-30-9 1-Bromo-3-methylbutan-2-one19967-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook