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    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

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    Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

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    Chemistry

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    Also known as: 6282-60-6, Nsc7059, Dtxsid50278358, Nsc-7059, Zinc1566575
    Molecular Formula
    C15H28O2
    Molecular Weight
    240.38  g/mol
    InChI Key
    MQMJSIDAUWCUJP-UHFFFAOYSA-N
    CAS 6282-60-6
    1 2D Structure

    CAS 6282-60-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-butyl-3-ethyl-1,5-dioxaspiro[5.5]undecane
    2.1.2 InChI
    InChI=1S/C15H28O2/c1-3-5-9-14(4-2)12-16-15(17-13-14)10-7-6-8-11-15/h3-13H2,1-2H3
    2.1.3 InChI Key
    MQMJSIDAUWCUJP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC1(COC2(CCCCC2)OC1)CC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6282-60-6

    2. Nsc7059

    3. Dtxsid50278358

    4. Nsc-7059

    5. Zinc1566575

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 240.38 g/mol
    Molecular Formula C15H28O2
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area18.5
    Heavy Atom Count17
    Formal Charge0
    Complexity221
    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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