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    Also known as: 738606-43-4, Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate, Pentadecanedioic acid, 2,2,14,14-tetramethyl-8-oxo-, diethyl ester, Schembl187113, Amy31887, Cs-m3560
    Molecular Formula
    C23H42O5
    Molecular Weight
    398.6  g/mol
    InChI Key
    LDURYVDWYUCWGK-UHFFFAOYSA-N
    CAS 738606-43-4
    1 2D Structure

    CAS 738606-43-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
    2.1.2 InChI
    InChI=1S/C23H42O5/c1-7-27-20(25)22(3,4)17-13-9-11-15-19(24)16-12-10-14-18-23(5,6)21(26)28-8-2/h7-18H2,1-6H3
    2.1.3 InChI Key
    LDURYVDWYUCWGK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(=O)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 738606-43-4

    2. Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate

    3. Pentadecanedioic Acid, 2,2,14,14-tetramethyl-8-oxo-, Diethyl Ester

    4. Schembl187113

    5. Amy31887

    6. Cs-m3560

    7. Cs-13322

    8. Db-091383

    9. Diethyl2,2,14,14-tetramethyl-8-oxopentadecanedioate

    10. 1,15-diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate

    11. 2,2,14,14-tetramethyl-8-oxo-pentadecanedioic Acid Diethyl Ester

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 398.6 g/mol
    Molecular Formula C23H42O5
    XLogP35.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count18
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area69.7
    Heavy Atom Count28
    Formal Charge0
    Complexity437
    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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