Ethyl 4,7,10,13,16,19-docosahexaenoate

C₂₄H₃₆O₂CAS 84494-72-4356.55 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₂₄H₃₆O₂
Molar mass: 356.55 g/mol
Exact mass: 356.2715 Da
logP: 7.03Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 15

Identifiers

CAS number

84494-72-4

SMILES

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC

InChIKey

ITNKVODZACVXDS-UHFFFAOYSA-N

InChI

InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3

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Names and synonyms

1 names

4,7,10,13,16,19-Docosahexaenoic acid, ethyl ester

Work with Ethyl 4,7,10,13,16,19-docosahexaenoate

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 eicosapentaenoate86227-47-682 % similar Ethyl linolenate1191-41-979 % similar Ethyl (E)-4-decenoate76649-16-663 % similar Ethyl arachidonate1808-26-062 % similar Ethyl 3-hexenoate2396-83-061 % similar Ethyl linoleate544-35-461 % similar Ethyl 4-pentenoate1968-40-754 % similar cis-3-Hexenyl butanoate16491-36-454 % similar

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

Elsewhere

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