ChemSpider 2D Image | 7-Methyl-2-oxo-4-propyl-2H-chromen-5-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate | C26H35NO6

7-Methyl-2-oxo-4-propyl-2H-chromen-5-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate

  • Molecular FormulaC26H35NO6
  • Average mass457.559 Da
  • Monoisotopic mass457.246429 Da
  • ChemSpider ID21834329

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

7-Methyl-2-oxo-4-propyl-2H-chromen-5-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate [ACD/IUPAC Name]
7-Methyl-2-oxo-4-propyl-2H-chromen-5-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]-, 7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl ester, trans- [ACD/Index Name]
trans-4-[({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]cyclohexanecarboxylate de 7-méthyl-2-oxo-4-propyl-2H-chromén-5-yle [French] [ACD/IUPAC Name]
1217474-94-6 [RN]
4-(tert-Butoxycarbonylamino-methyl)-cyclohexanecarboxylic acid 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl ester
7-methyl-2-oxo-4-propyl-2H-chromen-5-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
7-methyl-2-oxo-4-propylchromen-5-yl 4-{[(tert-butoxy)carbonylamino]methyl}cyclohexanecarboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.0±31.5 °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: 5.66
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10367.02
ACD/KOC (pH 5.5): 26061.21
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10366.99
ACD/KOC (pH 7.4): 26061.13
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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