ChemSpider 2D Image | 5-(4-Isopropoxy-3-methoxyphenyl)-1,3-cyclohexanedione | C16H20O4

5-(4-Isopropoxy-3-methoxyphenyl)-1,3-cyclohexanedione

  • Molecular FormulaC16H20O4
  • Average mass276.328 Da
  • Monoisotopic mass276.136169 Da
  • ChemSpider ID26457478

More details:

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

1,3-Cyclohexanedione, 5-[3-methoxy-4-(1-methylethoxy)phenyl]- [ACD/Index Name]
1255147-58-0 [RN]
5-(4-Isopropoxy-3-methoxyphenyl)-1,3-cyclohexandion [German] [ACD/IUPAC Name]
5-(4-Isopropoxy-3-methoxyphenyl)-1,3-cyclohexanedione [ACD/IUPAC Name]
5-(4-Isopropoxy-3-méthoxyphényl)-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
1,3-cyclohexanedione, 5-[3-methoxy-4-(1-methylethoxy)phenyl]
5-(3-methoxy-4-propan-2-yloxyphenyl)cyclohexane-1,3-dione
5-(4-isopropoxy-3-methoxyphenyl)cyclohexane-1,3-dione
MFCD18064656 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 427.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 189.3±28.8 °C
    Index of Refraction: 1.524
    Molar Refractivity: 75.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 3.94
    ACD/KOC (pH 5.5): 57.87
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.85
    Polar Surface Area: 53 Å2
    Polarizability: 29.7±0.5 10-24cm3
    Surface Tension: 40.5±3.0 dyne/cm
    Molar Volume: 245.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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