ChemSpider 2D Image | 3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate | C23H28O6

3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

  • Molecular FormulaC23H28O6
  • Average mass400.465 Da
  • Monoisotopic mass400.188599 Da
  • ChemSpider ID21674347

More details:

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

2H-1-Benzopyran-3-propanoic acid, 7-[(cyclohexylcarbonyl)oxy]-4,8-dimethyl-2-oxo-, ethyl ester [ACD/Index Name]
3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate [ACD/IUPAC Name]
3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de 3-(3-éthoxy-3-oxopropyl)-4,8-diméthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
892558-31-5 [RN]
Cyclohexanecarboxylic acid 3-(2-ethoxycarbonyl-ethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl ester
ethyl 3-(7-cyclohexylcarbonyloxy-4,8-dimethyl-2-oxochromen-3-yl)propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 235.2±30.2 °C
Index of Refraction: 1.539
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4106.31
ACD/KOC (pH 5.5): 13430.81
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4106.31
ACD/KOC (pH 7.4): 13430.81
Polar Surface Area: 79 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 340.1±3.0 cm3

Click to predict properties on the Chemicalize site


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