chempirical

Methyl ricinoleate

C19H36O3CAS 41989-07-5312.49 g/mol

Open in Covalent MOL file
OOOH
AlcoholAlkeneEster

Properties

Molecular formula
C19H36O3
Molar mass
312.49 g/mol
Exact mass
312.2664 Da
logP
5.17Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
15
Stereocentres
Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
41989-07-5
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O
InChIKey
XKGDWZQXVZSXAO-ADYSOMBNSA-N
InChI
InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1

Weigh it out

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

Work with Methyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl ricinoleate141-24-2Stereoisomer

Similar compounds

Butyl ricinoleate151-13-376 % similar Ethyl (9Z,12R)-12-hydroxy-9-octadecenoate55066-53-076 % similar Methyl 12-hydroxystearate141-23-176 % similar Hemicellulase9025-56-371 % similar Methyl oleate112-62-970 % similar Methyl palmitoleate1120-25-870 % similar Methyl erucate1120-34-970 % similar Methyl elaidate1937-62-870 % similar

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

Same formula

trans-9,10-Epoxystearic acid methyl ester6084-76-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook