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    CAS 1660-04-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1660-04-4, 1-acetyladamantane, 1-(1-adamantyl)ethanone, 1-adamantylmethylketone, 1-(adamantan-1-yl)ethan-1-one, Methyl 1-adamantyl ketone
    Molecular Formula
    C12H18O
    Molecular Weight
    178.27  g/mol
    InChI Key
    DACIGVIOAFXPHW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(1-adamantyl)ethanone
    2.1.2 InChI
    InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
    2.1.3 InChI Key
    DACIGVIOAFXPHW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C12CC3CC(C1)CC(C3)C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1660-04-4

    2. 1-acetyladamantane

    3. 1-(1-adamantyl)ethanone

    4. 1-adamantylmethylketone

    5. 1-(adamantan-1-yl)ethan-1-one

    6. Methyl 1-adamantyl Ketone

    7. Adamantyl Methyl Ketone

    8. 1-adamantan-1-yl-ethanone

    9. Mfcd00074739

    10. Methyl Tricyclo(3.3.1.13,7)dec-1-yl Ketone

    11. Ethanone, 1-tricyclo[3.3.1.13,7]decyl-

    12. 1-((3r,5r,7r)-adamantan-1-yl)ethan-1-one

    13. Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-

    14. Acetyladamantane

    15. 1-(adamantan-1-yl)ethanone

    16. Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl-

    17. Ethanone, 1-tricyclo[3.3.1.13,7]dec-1-yl-

    18. Acetyldamantane

    19. 1-(1-adamantyl)ethan-1-one

    20. Einecs 216-761-9

    21. 1-acetyl-adamantane

    22. Methyl Adamantyl Ketone

    23. Methyl Adamantyl-1 Ketone

    24. Ketone, 1-adamantyl Methyl

    25. Adamantan-1-yl-ethan-1-one

    26. Adamantan-1-yl Methyl Ketone

    27. Schembl159994

    28. 1-(1-adamantyl)-1-ethanone

    29. Schembl19757635

    30. Dacigvioafxphw-uhfffaoysa-

    31. Dtxsid60168059

    32. 1-adamantyl Methyl Ketone, 99%

    33. Zinc3861155

    34. Stk387539

    35. Akos000121013

    36. Akos000423113

    37. Akos005146501

    38. Am84568

    39. As-9177

    40. Tricyclo[3.3.1.13.7]decan-1-acetyl

    41. Ac-11126

    42. Sy023641

    43. 1-acetyl-tricyclo[3.3.1.1(3,7)]decane

    44. Cs-0063144

    45. Ft-0633741

    46. Vu0494587-1

    47. 1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone

    48. Ethanone,1-tricyclo[3.3.1.13,7]dec-1-yl-

    49. 1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

    50. 660a044

    51. Ethanone, 1-tricyclo[3.3.1.1<3,7>dec-1-yl-

    52. W-107929

    53. F1928-0002

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 178.27 g/mol
    Molecular Formula C12H18O
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass178.135765193 g/mol
    Monoisotopic Mass178.135765193 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity213
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1