chempirical

Heneicosylic acid

C21H42O2CAS 2363-71-5326.56 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C21H42O2
Molar mass
326.56 g/mol
Exact mass
326.3185 Da
Melting point
75–76 °C
Boiling point
168–171 °C (at 2 Torr)
logP
7.50Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
19

Identifiers

CAS number
2363-71-5
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey
CKDDRHZIAZRDBW-UHFFFAOYSA-N
InChI
InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)

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

Names and synonyms

2 names
  • Heneicosanoic acid
  • n-Heneicosanoic acid

Work with Heneicosylic 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

Pentadecylic acid1002-84-2100 % similar Enanthic acid111-14-8100 % similar Pelargonic acid112-05-0100 % similar Undecylic acid112-37-8100 % similar Behenic acid112-85-6100 % similar Caprylic acid124-07-2100 % similar Lauric acid143-07-7100 % similar Tricosylic acid2433-96-7100 % similar

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

Same formula

Methyl eicosanoate1120-28-1 Isopropyl stearate112-10-7

Elsewhere

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