ChemSpider 2D Image | (1R,2S,5R)-5-Methyl-2-[2-(2-naphthyl)-2-propanyl]cyclohexyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate | C32H34O6

(1R,2S,5R)-5-Methyl-2-[2-(2-naphthyl)-2-propanyl]cyclohexyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate

  • Molecular FormulaC32H34O6
  • Average mass514.609 Da
  • Monoisotopic mass514.235535 Da
  • ChemSpider ID20574449

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5R)-5-Methyl-2-[2-(2-naphthyl)-2-propanyl]cyclohexyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate [ACD/IUPAC Name]
(1R,2S,5R)-5-Methyl-2-[2-(2-naphthyl)-2-propanyl]cyclohexyl-5,7-dimethoxy-2-oxo-2H-chromen-3-carboxylat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, (1R,2S,5R)-5-methyl-2-[1-methyl-1-(2-naphthalenyl)ethyl]cyclohexyl ester [ACD/Index Name]
5,7-Diméthoxy-2-oxo-2H-chromène-3-carboxylate de (1R,2S,5R)-5-méthyl-2-[2-(2-naphtyl)-2-propanyl]cyclohexyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 283.9±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 164388.83
ACD/KOC (pH 5.5): 188407.36
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 164388.83
ACD/KOC (pH 7.4): 188407.36
Polar Surface Area: 71 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 417.5±5.0 cm3

Click to predict properties on the Chemicalize site


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