chempirical

Ethyl 2-bromotetradecanoate

C16H31BrO2CAS 14980-92-8335.33 g/mol

Open in Covalent MOL file
BrOO
Alkyl halideEster

Properties

Molecular formula
C16H31BrO2
Molar mass
335.33 g/mol
Exact mass
334.1507 Da
logP
5.62Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
13

Identifiers

CAS number
14980-92-8
SMILES
CCCCCCCCCCCCC(Br)C(=O)OCC
InChIKey
JQQZIRFEGUUJBP-UHFFFAOYSA-N
InChI
InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3

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

Names and synonyms

5 names
  • Tetradecanoic acid, 2-bromo-, ethyl ester
  • Ethyl α-bromomyristate
  • Ethyl 2-bromomyristate
  • α-Bromomyristic acid ethyl ester
  • NSC 74506

Work with Ethyl 2-bromotetradecanoate

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-bromooctanoate5445-29-4100 % similar Ethyl 2-bromohexanoate615-96-387 % similar Ethyl α-bromovalerate615-83-875 % similar 1,6-Diethyl 2,5-dibromohexanedioate869-10-371 % similar Methyl 2-bromotetradecanoate16631-25-769 % similar Methyl 2-bromooctanoate5445-22-769 % similar Ethyl 2,4-dibromobutyrate36847-51-563 % similar Ethyl 2-acetyloctanoate29214-60-659 % similar

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

Same formula

2-Bromohexadecanoic acid18263-25-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook