chempirical

Butyl ricinoleate

C22H42O3CAS 151-13-3354.58 g/mol

Open in Covalent MOL file
OHOO
AlcoholAlkeneEster

Properties

Molecular formula
C22H42O3
Molar mass
354.58 g/mol
Exact mass
354.3134 Da
logP
6.34Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
18
Stereocentres
Rin SMILES atom order

Hazards

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number
151-13-3
SMILES
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)OCCCC
InChIKey
HGWAKQDTQVDVRP-OKULMJQMSA-N
InChI
InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 9-Octadecenoic acid, 12-hydroxy-, butyl ester, (9Z,12R)-
  • Ricinoleic acid, butyl ester
  • 9-Octadecenoic acid, 12-hydroxy-, butyl ester, [R-(Z)]-
  • n-Butyl ricinoleate
  • Flexricin P 3
  • Butyl ricinolate

Work with Butyl ricinoleate

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

Ethyl (9Z,12R)-12-hydroxy-9-octadecenoate55066-53-082 % similar Hemicellulase9025-56-377 % similar Methyl ricinoleate141-24-276 % similar Methyl ricinoleate41989-07-576 % similar Butyl oleate142-77-871 % similar Ricinoleic acid141-22-068 % similar Decyl oleate3687-46-567 % similar Zinc ricinoleate13040-19-263 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook