ChemSpider 2D Image | 8-Methyl-2-oxo-4-propyl-2H-chromen-7-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate | C26H35NO6

8-Methyl-2-oxo-4-propyl-2H-chromen-7-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate

  • Molecular FormulaC26H35NO6
  • Average mass457.559 Da
  • Monoisotopic mass457.246429 Da
  • ChemSpider ID21531942

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

8-Methyl-2-oxo-4-propyl-2H-chromen-7-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate [ACD/IUPAC Name]
8-Methyl-2-oxo-4-propyl-2H-chromen-7-yl-trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, 8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl ester, trans- [ACD/Index Name]
trans-4-[({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]cyclohexanecarboxylate de 8-méthyl-2-oxo-4-propyl-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(8-methyl-2-oxo-4-propylchromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
1212261-05-6 [RN]
AC1LXAH8
AGN-PC-0K8ZY2
MCULE-1651203248
MolPort-002-524-425
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 599.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.2±3.0 kJ/mol
    Flash Point: 316.3±30.1 °C
    Index of Refraction: 1.530
    Molar Refractivity: 124.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.76
    ACD/LogD (pH 5.5): 5.73
    ACD/BCF (pH 5.5): 13348.75
    ACD/KOC (pH 5.5): 31230.46
    ACD/LogD (pH 7.4): 5.73
    ACD/BCF (pH 7.4): 13348.71
    ACD/KOC (pH 7.4): 31230.36
    Polar Surface Area: 91 Å2
    Polarizability: 49.2±0.5 10-24cm3
    Surface Tension: 41.9±3.0 dyne/cm
    Molar Volume: 401.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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