3-(Bromomethyl)-3-methyloxetane

C5H9BrOCAS 78385-26-9165.03 g/mol

Open in Covalent MOL file
BrO
Alkyl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

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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-Methyl-3-oxetanemethanol3143-02-050 % similar (3-Methyloxetan-3-yl)methanamine153209-97-348 % similar 3,3-Bis(bromomethyl)oxetane2402-83-748 % similar [3-(Bromomethyl)oxetan-3-yl]methanol22633-44-944 % similar 1-Bromo-2,2-dimethylpropane630-17-138 % similar 2-Bromoisobutyl bromide594-34-336 % similar 1-Bromo-2,2-dimethoxypropane126-38-536 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Bromomethyl)tetrahydrofuran1192-30-9 3-(Bromomethyl)tetrahydrofuran165253-29-2 1-Bromo-3-methylbutan-2-one19967-55-6 4-Bromotetrahydropyran25637-16-5

Elsewhere

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