chempirical

1,1-Dimethylethyl 2-bromo-2-methylpropanoate

C8H15BrO2CAS 23877-12-5223.11 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C8H15BrO2
Molar mass
223.11 g/mol
Exact mass
222.0255 Da
Boiling point
35–37 °C (at 1 Torr)
logP
2.50Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
23877-12-5
SMILES
CC(C)(C)OC(=O)C(C)(C)Br
InChIKey
IGVNJALYNQVQIT-UHFFFAOYSA-N
InChI
InChI=1S/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3

Weigh it out

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

Names and synonyms

10 names
  • Propanoic acid, 2-bromo-2-methyl-, 1,1-dimethylethyl ester
  • Propionic acid, 2-bromo-2-methyl-, tert-butyl ester
  • tert-Butyl α-bromoisobutyrate
  • tert-Butyl 2-bromo-2-methylpropionate
  • tert-Butyl 2-bromoisobutyrate
  • 2-Bromo-2-methylpropionic acid tert-butyl ester
  • 2-Bromo-2-methylpropanoic acid tert-butyl ester
  • 2-Bromoisobutyric acid tert-butyl ester
  • tert-Butyl 2-bromo-2-methylpropanoate
  • tert-Butyl 2-bromo-2,2-dimethylacetate

Work with 1,1-Dimethylethyl 2-bromo-2-methylpropanoate

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

Methyl 2-bromo-2-methylpropanoate23426-63-358 % similar 1-Methylethyl 2-bromo-2-methylpropanoate51368-55-952 % similar Ethyl 2-bromoisobutyrate600-00-052 % similar 2-Bromoisobutyryl bromide20769-85-142 % similar tert-Butyl bromoacetate5292-43-340 % similar Bromoisobutyric acid2052-01-939 % similar 1,1-Dimethylethyl 2-bromopropanoate39149-80-938 % similar tert-Butyl propionate20487-40-537 % similar

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

Same formula

1,1-Dimethylethyl 4-bromobutanoate110661-91-1 8-Bromooctanoic acid17696-11-6 Ethyl 6-bromohexanoate25542-62-5 2-Bromooctanoic acid2623-82-7 Ethyl 2-bromohexanoate615-96-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook