chempirical

Methyl 12-hydroxystearate

C19H38O3CAS 141-23-1314.51 g/mol

Open in Covalent MOL file
OHOO
AlcoholEster

Properties

Molecular formula
C19H38O3
Molar mass
314.51 g/mol
Exact mass
314.2821 Da
Melting point
48 °C
logP
5.39Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
16

Identifiers

CAS number
141-23-1
SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OC
InChIKey
RVWOWEQKPMPWMQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3

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

Names and synonyms

10 names
  • Octadecanoic acid, 12-hydroxy-, methyl ester
  • Kemester 1288
  • Methyl 12-hydroxyoctadecanoate
  • 12-Hydroxyoctadecanoic acid methyl ester
  • Methyl DL-12-hydroxyoctadecanoate
  • NSC 2392
  • CW-FA methyl ester
  • Itohwax E 210
  • Paracin 1
  • Cenwax ME

Work with Methyl 12-hydroxystearate

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

Methyl ricinoleate141-24-276 % similar Methyl heptanoate106-73-072 % similar Methyl decanoate110-42-972 % similar Methyl octanoate111-11-572 % similar Methyl laurate111-82-072 % similar Methyl palmitate112-39-072 % similar Methyl stearate112-61-872 % similar Methyl eicosanoate1120-28-172 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook