ChemSpider 2D Image | (1R,2Z,4R,9Z)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl 4-hydroxybenzoate | C22H30O4

(1R,2Z,4R,9Z)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl 4-hydroxybenzoate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID57575845

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2Z,4R,9Z)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1R,2Z,4R,9Z)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1R,2Z,4R,9Z)-4-hydroxy-2,5,5,9-tétraméthyl-2,9-cycloundécadién-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1R,2Z,4R,9Z)-4-hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl ester [ACD/Index Name]
(1R,4R)-4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dien-1-yl 4-hydroxybenzoate
74724-29-1 [RN]
juniferdin

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 505.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.6±3.0 kJ/mol
    Flash Point: 169.7±23.6 °C
    Index of Refraction: 1.561
    Molar Refractivity: 103.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.46
    ACD/LogD (pH 5.5): 5.90
    ACD/BCF (pH 5.5): 18074.30
    ACD/KOC (pH 5.5): 38766.84
    ACD/LogD (pH 7.4): 5.82
    ACD/BCF (pH 7.4): 14935.40
    ACD/KOC (pH 7.4): 32034.33
    Polar Surface Area: 67 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 46.9±5.0 dyne/cm
    Molar Volume: 318.3±5.0 cm3

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