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    CAS 52154-82-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 52154-82-2, 7212-40-0, (1r,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol, (+)-trans-p-mentha-2,8-dien-1-ol, (1r,4r)-p-mentha-2,8-dien-1-ol, (1r-trans) 1-methyl-4-(1-methylethenyl)-2-cyclohexene-1-ol
    Molecular Formula
    C10H16O
    Molecular Weight
    152.23  g/mol
    InChI Key
    MKPMHJQMNACGDI-UWVGGRQHSA-N
    FDA UNII
    7K859030EU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,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-UWVGGRQHSA-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
    7K859030EU
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 52154-82-2

    2. 7212-40-0

    3. (1r,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

    4. (+)-trans-p-mentha-2,8-dien-1-ol

    5. (1r,4r)-p-mentha-2,8-dien-1-ol

    6. (1r-trans) 1-methyl-4-(1-methylethenyl)-2-cyclohexene-1-ol

    7. R1auq945jn

    8. 7k859030eu

    9. Trans-1-methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol

    10. (1r,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-enol

    11. 4-isopropenyl-1-methyl-cyclohex-2-en-1-ol, (1r*,4r*), Rel-

    12. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1r,4r)-

    13. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1r,4r)-rel-

    14. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1r-trans)-

    15. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, Trans-

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

    17. Rel-(1r,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

    18. Cis-p-mentha-2,8-dien-1-ol

    19. Unii-r1auq945jn

    20. (z)-p-mentha-2,8-dien-1-ol

    21. Unii-7k859030eu

    22. P-mentha-2,8-dien-1-alpha-ol

    23. Einecs 230-595-4

    24. Fema No. 4411, Trans-(+-)-

    25. (+-)-trans-p-mentha-2,8-dien-1-ol

    26. 2,8-p-menthadien-1-ol, Trans-(+-)-

    27. Cis-2,8-menthadien-1-ol

    28. Schembl1114908

    29. Trans-1-methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol

    30. Cis-p-mentha-2,8-diene-1-ol

    31. Chebi:171978

    32. (1r,4r)-1-methyl-4-(1-methylvinyl)-cyclohex-2-ene-1-ol

    33. Dtxsid401301235

    34. P-menth-2,8-dien-1-ol, Cis-

    35. P-mentha-2,8-dien-1-ol, Cis-

    36. Zinc5158342

    37. Mfcd08460037

    38. Akos006288261

    39. Mentha-2,8-dien-1-ol, Para, Cis-

    40. (1r,4r)-p-mentha-5,8-diene-1-ol

    41. Fema No. 4411, Trans-(+)-

    42. P-mentha-2,8-dien-1-.alpha.-ol

    43. P-mentha-2,8-dien-1-ol, Trans-

    44. 2,8-p-menthadien-1-ol, Trans-(+)-

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

    46. 2,8-p-menthadien-1-ol, Trans-(+/-)-

    47. 4-isopropenyl-1-methyl-2-cyclohexen-1-ol-, Cis

    48. P-mentha-2,8-dien-1-ol, Trans-(+/-)-

    49. (1r,4r)-4-isopropenyl-1-methyl-2-cyclohexen-1-ol

    50. 1-methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol, Cis-

    51. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl), Cis

    52. (1r,4r)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol, (e)-

    53. (+/-)-(1r,4r)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol, (e)-

    2.4 Create Date
    2005-08-08
    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