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    Menthadienol

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 22972-51-6, Cis-isolimonenol, (1s,4r)-p-mentha-2,8-dien-1-ol, 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s,4r)-, 2,8-p-menthadien-1-ol, cis-(+)-, (1s,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
    Molecular Formula
    C10H16O
    Molecular Weight
    152.23  g/mol
    InChI Key
    MKPMHJQMNACGDI-VHSXEESVSA-N
    FDA UNII
    1EOK52ZYQH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
    2.1.2 InChI
    InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1
    2.1.3 InChI Key
    MKPMHJQMNACGDI-VHSXEESVSA-N
    2.1.4 Canonical SMILES
    CC(=C)C1CCC(C=C1)(C)O
    2.1.5 Isomeric SMILES
    CC(=C)[C@@H]1CC[C@](C=C1)(C)O
    2.2 Other Identifiers
    2.2.1 UNII
    1EOK52ZYQH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 22972-51-6

    2. Cis-isolimonenol

    3. (1s,4r)-p-mentha-2,8-dien-1-ol

    4. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s,4r)-

    5. 2,8-p-menthadien-1-ol, Cis-(+)-

    6. (1s,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

    7. (+)-p-mentha-2,8-dien-1-ol

    8. (+)-cis-p-mentha-2,8-dien-1-ol

    9. (+)-(1s,4r)-p-mentha-2,8-dien-1-ol

    10. 1eok52zyqh

    11. Fema No. 4411, Cis-(+)-

    12. (1s,4r)-p-menth-2,8-dien-1-ol

    13. (1s,4r)-4-isopropenyl-1-methylcyclohex-2-en-1-ol

    14. (1s,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

    15. Rel-(1s,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-enol

    16. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s-cis)-

    17. Unii-1eok52zyqh

    18. Mfcd08460036

    19. P-mentha-2,8-dien-1-beta-ol

    20. Schembl1114907

    21. Cis-p-mentha-2,8-diene 1-ol

    22. Dtxsid50177519

    23. Chebi:171955

    24. Bcp12523

    25. Cs-m3276

    26. Zinc5158345

    27. Cis-(+)-2,8-p-menthadien-1-ol

    28. Fd7167

    29. Akos006288260

    30. Ds-4115

    31. Ac-26319

    32. Hy-41094

    33. P-mentha-2,8-dien-1-.beta.-ol

    34. P-mentha-2,8-dien-1-ol, (1s,4r)-

    35. 972m516

    36. A846922

    37. (1s,4r)-4-isoprenyl-1-methylcyclohex-2-en-1-ol

    38. Q27252332

    39. (1s,4r)-1-methyl-4-(1-methylvinyl)-cyclohex-2-ene-1-ol

    2.3.2 Other Synonyms

    1. 4-methyl-beta-methylenecyclohex-3-ene-1-ethanol

    2. 3269-90-7

    3. 38142-45-9

    4. Menthadienol

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 152.23 g/mol
    Molecular Formula C10H16O
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass152.120115130 g/mol
    Monoisotopic Mass152.120115130 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1