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    Chemistry

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    Also known as: Schembl22190510, Cs-0105214, 2448269-30-3
    Molecular Formula
    C11H21IO2
    Molecular Weight
    312.19  g/mol
    InChI Key
    UNOVUOFLAAXPMB-UHFFFAOYSA-N
    CAS 2448269-30-3
    1 2D Structure

    CAS 2448269-30-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 7-iodo-2,2-dimethylheptanoate
    2.1.2 InChI
    InChI=1S/C11H21IO2/c1-4-14-10(13)11(2,3)8-6-5-7-9-12/h4-9H2,1-3H3
    2.1.3 InChI Key
    UNOVUOFLAAXPMB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C)(C)CCCCCI
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl22190510

    2. Cs-0105214

    3. 2448269-30-3

    2.3 Create Date
    2019-12-31
    3 Chemical and Physical Properties
    Molecular Weight 312.19 g/mol
    Molecular Formula C11H21IO2
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count14
    Formal Charge0
    Complexity167
    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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