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    Chemistry

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    Also known as:
    Molecular Formula
    C18H30O
    Molecular Weight
    262.4  g/mol
    InChI Key
    RMGSYWBFOGEHLE-UHFFFAOYSA-N
    Buagafuran
    1 2D Structure

    Buagafuran

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-butyl-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
    2.1.2 InChI
    InChI=1S/C18H30O/c1-5-6-8-14-9-7-11-17(4)12-10-15-13-18(14,17)19-16(15,2)3/h9,15H,5-8,10-13H2,1-4H3
    2.1.3 InChI Key
    RMGSYWBFOGEHLE-UHFFFAOYSA-N
    2.2 Create Date
    2014-02-21
    3 Chemical and Physical Properties
    Molecular Weight 262.4 g/mol
    Molecular Formula C18H30O
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area9.2
    Heavy Atom Count19
    Formal Charge0
    Complexity394
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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