Free Chemical Databases



  • [Synonyms]
    CYCLOOCTANOL
    Cyclooctyl alcohol
    29610_FLUKA
    NSC60162
    EINECS 211-800-6
    NSC 60162
    ZINC03860308
    TL8004897
    696-71-9

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight128.21204 [g/mol]
    Molecular FormulaC8H16O
    XLogP2.5
    H-Bond Donor1
    H-Bond Acceptor1
    Rotatable Bond Count0
    Exact Mass128.120115
    MonoIsotopic Mass128.120115
    Topological Polar Surface Area20.2
    Heavy Atom Count9
    Formal Charge0
    Complexity63
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: cyclooctanol
    Canonical SMILES: C1CCCC(CCC1)O
    InChI: InChI=1/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2



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