chempirical

Ethyl (9Z,12R)-12-hydroxy-9-octadecenoate

C20H38O3CAS 55066-53-0326.52 g/mol

Open in Covalent MOL file
OHOO
AlcoholAlkeneEster

Properties

Molecular formula
C20H38O3
Molar mass
326.52 g/mol
Exact mass
326.2821 Da
Density
0.9182 g/mL (at 20 °C)
Boiling point
227–230 °C (at 10 Torr)
logP
5.56Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
16
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
55066-53-0
SMILES
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)OCC
InChIKey
AZXVZUBIFYQWJK-KWRJMZDGSA-N
InChI
InChI=1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3/b14-11-/t19-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (9Z,12R)-
  • 9-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-
  • Ricinoleic acid, ethyl ester
  • Ethyl ricinoleate
  • Neoricin
  • (+)-Ethyl ricinoleate

Work with Ethyl (9Z,12R)-12-hydroxy-9-octadecenoate

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

Butyl ricinoleate151-13-382 % similar Methyl ricinoleate141-24-276 % similar Ethyl oleate111-62-671 % similar Ricinoleic acid141-22-068 % similar Ethyl linoleate544-35-466 % similar Zinc ricinoleate13040-19-263 % similar Sodium ricinoleate5323-95-563 % similar Glycerol 1-monooleate111-03-563 % similar

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

Same formula

Decanoic anhydride2082-76-0 Polyethylene glycol monooleate9004-96-0

Elsewhere

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