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2D Structure
Also known as: Cyclohex-2-enone, Cyclohex-2-en-1-one, 930-68-7, 2-cyclohexenone, Cyclohexenone, 3-oxocyclohexene
Molecular Formula
C6H8O
Molecular Weight
96.13  g/mol
InChI Key
FWFSEYBSWVRWGL-UHFFFAOYSA-N
FDA UNII
445160R1U6

cyclohexenone is a natural product found in Solanum stuckertii and Lindera glauca with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclohex-2-en-1-one
2.1.2 InChI
InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
2.1.3 InChI Key
FWFSEYBSWVRWGL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC=CC(=O)C1
2.2 Other Identifiers
2.2.1 UNII
445160R1U6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-cyclohexen-1-one, 18o-labeled

2. 2-cyclohexen-1-one, Ion(1-)

3. 2-cyclohexenone

2.3.2 Depositor-Supplied Synonyms

1. Cyclohex-2-enone

2. Cyclohex-2-en-1-one

3. 930-68-7

4. 2-cyclohexenone

5. Cyclohexenone

6. 3-oxocyclohexene

7. Cyclohexen-3-one

8. 1-cyclohexen-3-one

9. Cyclohexen-1-one

10. 2-cyclohexene-1-one

11. Cyclohexen-2-one

12. Chebi:15977

13. Mfcd00001577

14. Nsc-59710

15. 445160r1u6

16. 2-cyclohexenone-1

17. Einecs 213-223-5

18. Nsc 59710

19. 25512-62-3

20. Brn 1280477

21. 2-cyclohexeneone

22. Unii-445160r1u6

23. A2q

24. Cyclohexenone, 18

25. 2-cyclohexane-1-one

26. Dsstox_cid_4881

27. Wln: L6v Butj

28. Epitope Id:141515

29. Dsstox_rid_77564

30. Dsstox_gsid_24881

31. 4-07-00-00124 (beilstein Handbook Reference)

32. Mls001065611

33. Chembl1439332

34. Dtxsid1024881

35. Fema No. 4517

36. Cyclohexene-1-one, 2-

37. 2-cyclohexen-1-one, >=95%

38. Bdbm217391

39. Hms3039a04

40. Nsc59710

41. Tox21_200008

42. Stl141084

43. Akos004909928

44. Zinc100004096

45. Ncgc00091479-01

46. Ncgc00091479-02

47. Ncgc00257562-01

48. Cas-930-68-7

49. Smr000568463

50. Db-057364

51. Ft-0606446

52. C02395

53. Q209370

54. J-509238

55. F0001-2243

56. Z955123690

57. 2-cyclohexen-1-one, Produced By Basf, >=98.0% (gc)

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 96.13 g/mol
Molecular Formula C6H8O
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.057514874 g/mol
Monoisotopic Mass96.057514874 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1