ChemSpider 2D Image | (9R,10R)-2-Ethyl-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4-methylbenzoate) | C32H30O7

(9R,10R)-2-Ethyl-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4-methylbenzoate)

  • Molecular FormulaC32H30O7
  • Average mass526.576 Da
  • Monoisotopic mass526.199158 Da
  • ChemSpider ID26377343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R,10R)-2-Ethyl-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-9,10-diyl-bis(4-methylbenzoat) [German] [ACD/IUPAC Name]
(9R,10R)-2-Ethyl-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4-methylbenzoate) [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, (9R,10R)-2-ethyl-9,10-dihydro-8,8-dimethyl-4-oxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-9,10-diyl ester [ACD/Index Name]
Bis(4-méthylbenzoate) de (9R,10R)-2-éthyl-8,8-diméthyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromène-9,10-diyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 266.9±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.20
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 90995.45
ACD/KOC (pH 5.5): 123380.25
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 90995.45
ACD/KOC (pH 7.4): 123380.25
Polar Surface Area: 88 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 406.3±5.0 cm3

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