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    Chemistry

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    Also known as: 281-23-2, Tricyclo[3.3.1.13,7]decane, Adamantan, Tricyclo[3.3.1.1(3,7)]decane, Tricyclo[3.3.1.1~3,7~]decane, Tricyclo(3.3.1.13,7)decane
    Molecular Formula
    C10H16
    Molecular Weight
    136.23  g/mol
    InChI Key
    ORILYTVJVMAKLC-UHFFFAOYSA-N
    FDA UNII
    PJY633525U
    Adamantane
    A tricyclo bridged hydrocarbon.
    1 2D Structure

    Adamantane

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    adamantane
    2.1.2 InChI
    InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
    2.1.3 InChI Key
    ORILYTVJVMAKLC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2CC3CC1CC(C2)C3
    2.2 Other Identifiers
    2.2.1 UNII
    PJY633525U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Diamantane

    2.3.2 Depositor-Supplied Synonyms

    1. 281-23-2

    2. Tricyclo[3.3.1.13,7]decane

    3. Adamantan

    4. Tricyclo[3.3.1.1(3,7)]decane

    5. Tricyclo[3.3.1.1~3,7~]decane

    6. Tricyclo(3.3.1.13,7)decane

    7. Chebi:40519

    8. Pjy633525u

    9. Nsc-527913

    10. A 0696; Nsc 527913

    11. Tricyclo[3.3.1.1]decane

    12. Einecs 206-001-4

    13. Nsc 527913

    14. Adamantine

    15. Unii-pjy633525u

    16. Mfcd00074719

    17. Adamantane; >99%

    18. Adamantane, >=99%

    19. Adamantane [mi]

    20. Ec 206-001-4

    21. Amy793

    22. Chembl1230831

    23. Dtxsid5022017

    24. Hy-n2427

    25. Zinc1271109

    26. Adamantane (purified By Sublimation)

    27. Nsc527913

    28. Tricyclo[3.3.1.1<3,7>]decane

    29. Adamantane Tricyclo[3.3.1.1]decane

    30. Akos000119960

    31. Akos004908007

    32. Db03627

    33. Ds-4960

    34. Tricyclo(3,3,1,1,<3,7>)-decane

    35. As-12242

    36. Db-004015

    37. A0696

    38. Cs-0022641

    39. Ft-0621893

    40. S2869

    41. D88553

    42. A819332

    43. Q351461

    44. W-107075

    45. F0001-0891

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 136.23 g/mol
    Molecular Formula C10H16
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass136.125200510 g/mol
    Monoisotopic Mass136.125200510 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity75.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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