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    Technical details about 1,3-Adamantanediol, learn more about the structure, uses, toxicity, action, side effects and more

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    1,3-Adamantanediol

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    2D Structure
    Also known as: 5001-18-3, 1,3-dihydroxyadamantane, Adamantane-1,3-diol, Tricyclo[3.3.1.13,7]decane-1,3-diol, Tricyclo[3.3.1.1~3,7~]decane-1,3-diol, Mfcd00154013
    Molecular Formula
    C10H16O2
    Molecular Weight
    168.23  g/mol
    InChI Key
    MOLCWHCSXCKHAP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    adamantane-1,3-diol
    2.1.2 InChI
    InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
    2.1.3 InChI Key
    MOLCWHCSXCKHAP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2CC3(CC1CC(C2)(C3)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5001-18-3

    2. 1,3-dihydroxyadamantane

    3. Adamantane-1,3-diol

    4. Tricyclo[3.3.1.13,7]decane-1,3-diol

    5. Tricyclo[3.3.1.1~3,7~]decane-1,3-diol

    6. Mfcd00154013

    7. 1,3-adamantandiol

    8. 1,3-dihydroxyadamanatane

    9. Adamantan-1,3-diol

    10. 1,3-adamantane Diol

    11. 1,3-adamantane-diol

    12. 1,3-diol-adamantane

    13. 1,3-adamantanediol #

    14. 1,3-dihydroxyadamantane.

    15. Oprea1_509718

    16. Schembl424418

    17. Schembl14791285

    18. Schembl15467155

    19. Schembl15858211

    20. Schembl16361440

    21. Dtxsid30198181

    22. Zinc162333

    23. Adamantane-1,2-diol;adamantanediol

    24. Act02850

    25. Albb-013814

    26. Amy11158

    27. Bcp33308

    28. Bbl012286

    29. Stk803145

    30. Akos001483023

    31. Akos016034998

    32. Akos037643343

    33. Cs-w001580

    34. (1s,3s,5s,7s)-adamantane-1,3-diol

    35. 1,3-adamantanediol;adamantane-1,3-diol

    36. 1,3-adamantanediol, >=99.0% (gc)

    37. As-14625

    38. Ds-13497

    39. Sy030302

    40. Ft-0606540

    41. O10344

    42. Acyclovir, Antibiotic For Culture Media Use Only

    43. 001a183

    44. A827931

    45. Sr-01000396850

    46. Q-200592

    47. Sr-01000396850-1

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 168.23 g/mol
    Molecular Formula C10H16O2
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass168.115029749 g/mol
    Monoisotopic Mass168.115029749 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1