ChemSpider 2D Image | 6,6'-[Methylenebis(oxy)]bis[2,2-dimethyl-7-(2-propyn-1-yloxy)-2,3-dihydro-4H-chromen-4-one] | C29H28O8

6,6'-[Methylenebis(oxy)]bis[2,2-dimethyl-7-(2-propyn-1-yloxy)-2,3-dihydro-4H-chromen-4-one]

  • Molecular FormulaC29H28O8
  • Average mass504.528 Da
  • Monoisotopic mass504.178406 Da
  • ChemSpider ID2983115

More details:

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

4H-1-Benzopyran-4-one, 6,6'-[methylenebis(oxy)]bis[2,3-dihydro-2,2-dimethyl-7-(2-propyn-1-yloxy)- [ACD/Index Name]
6,6'-[Methylenbis(oxy)]bis[2,2-dimethyl-7-(2-propin-1-yloxy)-2,3-dihydro-4H-chromen-4-on] [German] [ACD/IUPAC Name]
6,6'-[Methylenebis(oxy)]bis[2,2-dimethyl-7-(2-propyn-1-yloxy)-2,3-dihydro-4H-chromen-4-one] [ACD/IUPAC Name]
6,6'-[Méthylènebis(oxy)]bis[2,2-diméthyl-7-(2-propyn-1-yloxy)-2,3-dihydro-4H-chromén-4-one] [French] [ACD/IUPAC Name]
6-[(2,2-dimethyl-4-oxo-7-prop-2-ynyloxychroman-6-yloxy)methoxy]-2,2-dimethyl-7-prop-2-ynyloxychroman-4-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 280.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1194.60
ACD/KOC (pH 5.5): 5549.76
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1194.60
ACD/KOC (pH 7.4): 5549.76
Polar Surface Area: 90 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 409.0±3.0 cm3

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