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    CAS 145328-03-6

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    CAS 145328-03-6
    Also known as: 145328-03-6, M7pn3qau68, Dimethyl 3-(2-methylpropyl)pentanedioate, 1,5-dimethyl 3-(2-methylpropyl)pentanedioate, Pentanedioic acid, 3-(2-methylpropyl)-, dimethyl ester, Unii-m7pn3qau68
    Molecular Formula
    C11H20O4
    Molecular Weight
    216.27  g/mol
    InChI Key
    ODBRTAKEAMTPKE-UHFFFAOYSA-N
    FDA UNII
    M7PN3QAU68
    1 2D Structure

    CAS 145328-03-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl 3-(2-methylpropyl)pentanedioate
    2.1.2 InChI
    InChI=1S/C11H20O4/c1-8(2)5-9(6-10(12)14-3)7-11(13)15-4/h8-9H,5-7H2,1-4H3
    2.1.3 InChI Key
    ODBRTAKEAMTPKE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(CC(=O)OC)CC(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    M7PN3QAU68
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 145328-03-6

    2. M7pn3qau68

    3. Dimethyl 3-(2-methylpropyl)pentanedioate

    4. 1,5-dimethyl 3-(2-methylpropyl)pentanedioate

    5. Pentanedioic Acid, 3-(2-methylpropyl)-, Dimethyl Ester

    6. Unii-m7pn3qau68

    7. Schembl4880767

    8. 3-isobutylglutaric Acid Dimethyl Ester

    9. Db-114336

    10. D92809

    2.4 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 216.27 g/mol
    Molecular Formula C11H20O4
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass216.13615911 g/mol
    Monoisotopic Mass216.13615911 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity193
    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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