ChemSpider 2D Image | Methyl 1-[4-(2-methyl-2-propanyl)phenyl]-4-oxocyclohexanecarboxylate | C18H24O3

Methyl 1-[4-(2-methyl-2-propanyl)phenyl]-4-oxocyclohexanecarboxylate

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID28553235

More details:

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

1-[4-(2-Méthyl-2-propanyl)phényl]-4-oxocyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1385694-49-4 [RN]
Cyclohexanecarboxylic acid, 1-[4-(1,1-dimethylethyl)phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 1-[4-(2-methyl-2-propanyl)phenyl]-4-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-1-[4-(2-methyl-2-propanyl)phenyl]-4-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
[1385694-49-4] [RN]
1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
AC4938
methyl 1-(4-(tert-butyl)phenyl)-4-oxocyclohexanecarboxylate
METHYL 1-(4-TERT-BUTYLPHENYL)-4-OXOCYCLOHEXANE-1-CARBOXYLATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 394.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 171.2±27.9 °C
    Index of Refraction: 1.516
    Molar Refractivity: 81.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 233.03
    ACD/KOC (pH 5.5): 1722.67
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 233.03
    ACD/KOC (pH 7.4): 1722.67
    Polar Surface Area: 43 Å2
    Polarizability: 32.3±0.5 10-24cm3
    Surface Tension: 39.5±3.0 dyne/cm
    Molar Volume: 269.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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