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Chemistry

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Also known as: 6114-18-7, Ethyl elaidate, Elaidic acid ethyl ester, Ethyl (e)-octadec-9-enoate, Ethyl (9e)-octadec-9-enoate, Ethyl octadec-9-enoate
Molecular Formula
C20H38O2
Molecular Weight
310.5  g/mol
InChI Key
LVGKNOAMLMIIKO-VAWYXSNFSA-N

Ethyl Oleate
ethyl oleate (natural) is a natural product found in Artemisia argyi with data available.
1 2D Structure

Ethyl Oleate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (E)-octadec-9-enoate
2.1.2 InChI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
2.1.3 InChI Key
LVGKNOAMLMIIKO-VAWYXSNFSA-N
2.1.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC
2.1.5 Isomeric SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6114-18-7

2. Ethyl Elaidate

3. Elaidic Acid Ethyl Ester

4. Ethyl (e)-octadec-9-enoate

5. Ethyl (9e)-octadec-9-enoate

6. Ethyl Octadec-9-enoate

7. (e)-ethyl Octadec-9-enoate

8. Oleic Acid Ethyl Ester

9. (e)-9-octadecenoic Acid Ethyl Ester

10. Ethyl 9-octadecenoate

11. Delta 9 Trans-octadecenoic Acid Ethyl Ester

12. Elaidicacidethylester

13. Ethyl Z-9-octadecenoate

14. Einecs 228-082-5

15. 9-octadecenoic Acid, Ethyl Ester, (e)-

16. Starbld0002556

17. Schembl2798

18. Ethyl (9e)-9-octadecenoate

19. Ethyl (9z)-9-octadecenoate

20. Schembl874561

21. Qspl 075

22. 9-octadecenoic Acid Ethyl Ester

23. Elaidic Acid Ethyl Ester, Liquid

24. Fema 2450

25. Dtxsid00110052

26. Chebi:180949

27. 6512-99-8

28. Lmfa07010880

29. Zinc59868199

30. (e)-9-octadeccenoic Acid Ethy Ester

31. Trans-9-octadecenoic Acid Ethyl Ester

32. Akos015901517

33. (9e)-9-octadecenoic Acid Ethyl Ester

34. Ls-14830

35. D91817

36. J-002605

37. Q63409543

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 310.5 g/mol
Molecular Formula C20H38O2
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass310.287180451 g/mol
Monoisotopic Mass310.287180451 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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04-Jan-2021
10-Oct-2024
KGS
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