Methyl tetracosanoate

C₂₅H₅₀O₂CAS 2442-49-1382.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₅H₅₀O₂
Molar mass: 382.67 g/mol
Exact mass: 382.3811 Da
Melting point: 57.1–57.7 °C
Boiling point: 177–179 °C (at 0.08 Torr)
logP: 8.76Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 22

Identifiers

CAS number

2442-49-1

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChIKey

XUDJZDNUVZHSKZ-UHFFFAOYSA-N

InChI

InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Tetracosanoic acid, methyl ester
Methyl lignocerate
Lignoceric acid methyl ester
C24:0 FAME

Work with Methyl tetracosanoate

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 eicosanoate1120-28-1100 % similar Methyl nonanoate1731-84-6100 % similar

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

Same formula

Pentacosylic acid506-38-7

Elsewhere

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