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  • NSC169795,54719-31-2, 1-(3,7-dimethylocta-2,6-dienyl)-4-ethyl-4-methyl
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC169795
    54719-31-2

    [Structure]
    NSC169795,54719-31-2, 1-(3,7-dimethylocta-2,6-dienyl)-4-ethyl-4-methyl

    [ Properties Computed from Structure]
    Molecular Weight291.42836 [g/mol]
    Molecular FormulaC18H29NO2
    XLogP4.2
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count6
    Exact Mass291.219829
    MonoIsotopic Mass291.219829
    Topological Polar Surface Area37.4
    Heavy Atom Count21
    Formal Charge0
    Complexity438
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-(3,7-dimethylocta-2,6-dienyl)-4-ethyl-4-methylpiperidine-2,6-dione
    Canonical SMILES: CCC1(CC(=O)N(C(=O)C1)CC=C(C)CCC=C(C)C)C
    InChI: InChI=1/C18H29NO2/c1-6-18(5)12-16(20)19(17(21)13-18)11-10-15(4)9-7-8-14
    (2)3/h8,10H,6-7,9,11-13H2,1-5H3

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