Ethyl-2,2-dimethyl-7-bromoheptanoate

C₁₁H₂₁BrO₂CAS 123469-92-1265.19 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₁H₂₁BrO₂
Molar mass: 265.19 g/mol
Exact mass: 264.0725 Da
logP: 3.53Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Identifiers

CAS number

123469-92-1

SMILES

CCOC(=O)C(C)(C)CCCCCBr

InChIKey

SYRIIFZUZOIRNU-UHFFFAOYSA-N

InChI

InChI=1S/C11H21BrO2/c1-4-14-10(13)11(2,3)8-6-5-7-9-12/h4-9H2,1-3H3

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

Names and synonyms

1 names

Ethyl 7-bromo-2,2-dimethylheptanoate

Work with Ethyl-2,2-dimethyl-7-bromoheptanoate

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

1,1,1-Triethyl 3-bromo-1,1,1-propanetricarboxylate71170-82-656 % similar Ethyl 6-bromohexanoate25542-62-550 % similar Ethyl 7-bromoheptanoate29823-18-550 % similar Ethyl 8-bromooctanoate29823-21-050 % similar Ethyl 3-amino-2,2-dimethylpropanoate hydrochloride80253-38-948 % similar Ethyl 5-bromovalerate14660-52-747 % similar Ethyl 1-bromocyclobutanecarboxylate35120-18-447 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-447 % similar

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

Same formula

11-Bromoundecanoic acid2834-05-1 Ethyl 9-bromononanoate28598-81-4

Elsewhere

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