chempirical

Propylene glycol dioleate

C39H72O4CAS 105-62-4605.00 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C39H72O4
Molar mass
605.00 g/mol
Exact mass
604.5431 Da
logP
12.54Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
33

Identifiers

CAS number
105-62-4
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC/C=CCCCCCCCC
InChIKey
UMHYVXGZRGOICM-AUYXYSRINA-N
InChI
InChI=1/C39H72O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,37H,4-17,22-36H2,1-3H3/b20-18-,21-19-

Weigh it out

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

Names and synonyms

13 names · show all
  • 9-Octadecenoic acid (9Z)-, 1,1′-(1-methyl-1,2-ethanediyl) ester
  • Oleic acid, propylene ester
  • 9-Octadecenoic acid (Z)-, 1-methyl-1,2-ethanediyl ester
  • 9-Octadecenoic acid (9Z)-, 1-methyl-1,2-ethanediyl ester
  • 1,2-Propanediol dioleate
  • 1,2-Propylene glycol dioleate
  • 1,2-Dioleoyloxypropane
  • Rikemal PO 200
  • Radia 7204
  • Cithrol PGDO
  • 1-Methyl-1,2-ethanediyl dioleate
  • Priolube 1430
  • Emalex PG-di-O

Work with Propylene glycol dioleate

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

Triolein122-32-774 % similar Isopropyl oleate112-11-869 % similar Linolein537-40-669 % similar Ethyl oleate111-62-664 % similar Butyl oleate142-77-864 % similar Decyl oleate3687-46-564 % similar Axona538-23-862 % similar Trilaurin538-24-962 % similar

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

Elsewhere

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