Oleyl Oleate

Synopsis, Chemistry

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1 USP, 1 Others

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Also known as: 3687-45-4, Oleic acid oleyl ester, (z)-octadec-9-enyl oleate, Cetiol, Oleyl oleate [nf], 9z-octadecenyl 9z-octadecenoate

Molecular Formula

C₃₆H₆₈O₂

Molecular Weight

532.9 g/mol

InChI Key

BARWIPMJPCRCTP-CLFAGFIQSA-N

FDA UNII

3X3L452Y85

1 2D Structure

Oleyl Oleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(Z)-octadec-9-enyl] (Z)-octadec-9-enoate

2.1.2 InChI

InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-

2.1.3 InChI Key

BARWIPMJPCRCTP-CLFAGFIQSA-N

2.1.4 Canonical SMILES

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC

2.1.5 Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

3X3L452Y85

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (e)-isomer Of Oleyl Oleate

2. Oleyl Oleate, (e,e)-isomer

3. Oleyl Oleate, (e,z)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 3687-45-4

2. Oleic Acid Oleyl Ester

3. (z)-octadec-9-enyl Oleate

4. Cetiol

5. Oleyl Oleate [nf]

6. 9z-octadecenyl 9z-octadecenoate

7. 9-octadecenoic Acid (z)-, 9-octadecenyl Ester, (z)-

8. [(z)-octadec-9-enyl] (z)-octadec-9-enoate

9. We(18:1(9z)/18:1(9z))

10. Oleyl Oleate (nf)

11. 3x3l452y85

12. 9-octadecenoic Acid (9z)-, (9z)-9-octadecenyl Ester

13. 9-octadecenoic Acid (9z)-, (9z)-9-octadecen-1-yl Ester

14. Schercemol Olo

15. Unii-3x3l452y85

16. Einecs 222-980-0

17. Wickenol 143

18. Mfcd00072252

19. Oleic Acid, (z)-9-octadecenyl Ester

20. Schercemol Olo Ester

21. Cosmol Liquid

22. Crodamol Oo-v

23. Exceparl Ol-ol

24. 9-octadecenoic Acid, 9-octadecenyl Ester

25. Oleyl Oleate, >=99%

26. Oleyl Oleate [ii]

27. Cis 9,10 Octadecenyl Cis 9,10 Octadecanoate

28. Ec 222-980-0

29. Octadecen-1-ol Oleate Ester

30. Oleyl Oleate [inci]

31. Schembl43555

32. Oleyl Oleate [mart.]

33. Oleyl Oleate [usp-rs]

34. Chebi:75626

35. Dtxsid20893537

36. Lmfa07010153

37. Zinc56898850

38. (9z)-9-octadecenyl (9z)-9-octadecenoate

39. 1-o-(9z)-octadecenyl (9z)-octadecenoate

40. 9-octadecen-1-ol, Oleate, (z)-

41. Oleic Acid, Cis-9-octadecenyl Ester

42. (9z)-9-octadecen-1-yl (9z)-9-octadecenoate

43. D09361

44. (9z)-octadec-9-en-1-yl (9z)-octadec-9-enoate

45. W-106583

46. Methyl6-bromo-2-chloroquinoline-4-carboxylate

47. Q27145429

48. A38b6197-bfdc-456e-9034-95819f5fda09

49. Oleyl Oleate, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₆₈O₂
Molecular Weight	532.9 g/mol
XLogP3	15.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	32
Exact Mass	532.52193141 g/mol
Monoisotopic Mass	532.52193141 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1