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    Technical details about 14602-86-9, learn more about the structure, uses, toxicity, action, side effects and more

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    14602-86-9

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 14602-86-9, (-)-menthyl chloroformate, (1r)-(-)-menthyl chloroformate, Carbonochloridic acid, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl ester, 51259-57-5, (1r,2s,5r)-2-isopropyl-5-methylcyclohexyl-carbonochloridate
    Molecular Formula
    C11H19ClO2
    Molecular Weight
    218.72  g/mol
    InChI Key
    KIUPCUCGVCGPPA-KXUCPTDWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
    2.1.2 InChI
    InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
    2.1.3 InChI Key
    KIUPCUCGVCGPPA-KXUCPTDWSA-N
    2.1.4 Canonical SMILES
    CC1CCC(C(C1)OC(=O)Cl)C(C)C
    2.1.5 Isomeric SMILES
    C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)Cl)C(C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Menthyl Chloroformate

    2. S(-)-menthyl Chloroformate

    2.2.2 Depositor-Supplied Synonyms

    1. 14602-86-9

    2. (-)-menthyl Chloroformate

    3. (1r)-(-)-menthyl Chloroformate

    4. Carbonochloridic Acid, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester

    5. 51259-57-5

    6. (1r,2s,5r)-2-isopropyl-5-methylcyclohexyl-carbonochloridate

    7. (1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexyl Chloroformate

    8. Rel-(1r,2s,5r)-2-isopropyl-5-methylcyclohexyl Carbonochloridate

    9. [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] Carbonochloridate

    10. Mfcd00009694

    11. Schembl590742

    12. (-)-chloroformyloxy-p-menthane

    13. Kiupcucgvcgppa-kxucptdwsa-n

    14. Akos016843652

    15. As-80318

    16. M0990

    17. D91420

    18. En300-111714

    19. J-008182

    20. (1r)-(-)-menthyl Chloroformate, Optical Purity Ee: 99% (glc)

    2.3 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 218.72 g/mol
    Molecular Formula C11H19ClO2
    XLogP34.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count14
    Formal Charge0
    Complexity204
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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