chempirical

Methyl behenate

C23H46O2CAS 929-77-1354.62 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C23H46O2
Molar mass
354.62 g/mol
Exact mass
354.3498 Da
Melting point
54 °C
Boiling point
224–225 °C (at 15 Torr)
logP
7.98Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
20

Identifiers

CAS number
929-77-1
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChIKey
QSQLTHHMFHEFIY-UHFFFAOYSA-N
InChI
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Docosanoic acid, methyl ester
  • Methyl docosanoate
  • Methyl n-docosanoate
  • Behenic acid methyl ester
  • Kemester 9022
  • Kemester 9027-90
  • NSC 158426

Work with Methyl behenate

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

Tricosylic acid2433-96-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook