chempirical

Behenic acid

C22H44O2CAS 112-85-6340.59 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C22H44O2
Molar mass
340.59 g/mol
Exact mass
340.3341 Da
Density
0.8221 g/mL (at 100 °C)
Melting point
79.95 °C
Boiling point
306 °C (at 60 Torr)
logP
7.89Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
20

Identifiers

CAS number
112-85-6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey
UKMSUNONTOPOIO-UHFFFAOYSA-N
InChI
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

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Names and synonyms

16 names · show all
  • Docosanoic acid
  • n-Docosanoic acid
  • Hydrofol acid 560
  • 1-Docosanoic acid
  • Hydrofol 2022-55
  • Glycon B 70
  • NAA 222S
  • B 95 (Acid)
  • B 95
  • NAA 22S
  • Edenor C 22-85R
  • EXL 5
  • Prifac 2987
  • NSC 32364
  • Edenor C 22-85RGS
  • Prifrac 2989

Work with Behenic acid

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

Enanthic acid111-14-8100 % similar Pelargonic acid112-05-0100 % similar Undecylic acid112-37-8100 % similar Caprylic acid124-07-2100 % similar Lauric acid143-07-7100 % similar Heneicosylic acid2363-71-5100 % similar Tricosylic acid2433-96-7100 % similar Capric acid334-48-5100 % similar

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

Same formula

Butyl stearate123-95-5 Ethyl eicosanoate18281-05-5 Decyl laurate36528-28-6

Elsewhere

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