chempirical

Methyl 2-bromo-3-methylbutanoate

C6H11BrO2CAS 26330-51-8195.06 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C6H11BrO2
Molar mass
195.06 g/mol
Exact mass
193.9942 Da
logP
1.58Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
26330-51-8
SMILES
CC(C)C(C(=O)OC)Br
InChIKey
CKDTYRDFEIGXNO-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO2/c1-4(2)5(7)6(8)9-3/h4-5H,1-3H3

Weigh it out

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

Work with Methyl 2-bromo-3-methylbutanoate

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

Ethyl 2-bromo-3-methylbutanoate609-12-157 % similar Methyl 2-bromopropanoate5445-17-056 % similar Methyl isobutyrate547-63-750 % similar Dimethyl methylmalonate609-02-950 % similar 1,3-Dimethyl 2-(2-methylpropyl)propanedioate39520-24-648 % similar Dimethyl2,2'-dibromoadipate868-72-448 % similar Methyl D-valinate hydrochloride21685-47-247 % similar Methyl DL-valinate hydrochloride5619-05-647 % similar

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

Same formula

Ethyl 4-bromobutyrate2969-81-5 2-(2-Bromoethyl)-1,3-dioxane33884-43-4 6-Bromohexanoic acid4224-70-8 4-Acetoxy-1-bromobutane4753-59-7 tert-Butyl bromoacetate5292-43-3 Ethyl α-bromobutyrate533-68-6 Methyl 5-bromopentanoate5454-83-1 2-Methylpropyl 2-bromoacetate59956-48-8

Elsewhere

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