chempirical

Methyl eicosanoate

C21H42O2CAS 1120-28-1326.56 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C21H42O2
Molar mass
326.56 g/mol
Exact mass
326.3185 Da
Density
0.8633 g/mL (at 20 °C)
Melting point
54.5 °C
Boiling point
215 °C (at 10 Torr)
logP
7.20Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
18

Identifiers

CAS number
1120-28-1
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC
InChIKey
QGBRLVONZXHAKJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3

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Names and synonyms

8 names
  • Eicosanoic acid, methyl ester
  • Methyl arachate
  • Methyl arachidate
  • Arachic acid methyl ester
  • Arachidic acid methyl ester
  • n-Eicosanoic acid methyl ester
  • Methyl eicosanate
  • C20:0 FAME

Work with Methyl eicosanoate

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

Methyl heptanoate106-73-0100 % similar Methyl decanoate110-42-9100 % similar Methyl octanoate111-11-5100 % similar Methyl laurate111-82-0100 % similar Methyl palmitate112-39-0100 % similar Methyl stearate112-61-8100 % similar Methyl nonanoate1731-84-6100 % similar Methyl undecanoate1731-86-8100 % similar

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

Same formula

Isopropyl stearate112-10-7 Heneicosylic acid2363-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook