Ethyl-2,2-dimethyl-7-bromoheptanoate

C11H21BrO2CAS 123469-92-1265.19 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P501

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

Weigh it out

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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

1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate738606-43-468 % similar Triethyl 3-bromopropane-1,1,1-tricarboxylate71170-82-656 % similar Ethyl 6-bromohexanoate25542-62-550 % similar Ethyl 7-bromoheptanoate29823-18-550 % similar Ethyl 8-bromooctanoate29823-21-050 % similar Glycidyl neodecanoate26761-45-549 % similar Bismuth neodecanoate34364-26-648 % similar Ethyl 3-amino-2,2-dimethylpropanoate hydrochloride80253-38-948 % 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

PubChem CAS Common Chemistry NIST WebBook