ChemSpider 2D Image | 2,2,4',4',8,8-Hexamethyl-2',6'-dioxo-1,2,3,7,8,9-hexahydrospiro[1-benzofuro[4,3,2-def][1,3]benzodioxepine-5,1'-cyclohexane]-9a,10a-diyl diacetate | C28H36O9

2,2,4',4',8,8-Hexamethyl-2',6'-dioxo-1,2,3,7,8,9-hexahydrospiro[1-benzofuro[4,3,2-def][1,3]benzodioxepine-5,1'-cyclohexane]-9a,10a-diyl diacetate

  • Molecular FormulaC28H36O9
  • Average mass516.580 Da
  • Monoisotopic mass516.235962 Da
  • ChemSpider ID3807310

More details:

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

2,2,4',4',8,8-Hexamethyl-2',6'-dioxo-1,2,3,7,8,9-hexahydrospiro[1-benzofuro[4,3,2-def][1,3]benzodioxepine-5,1'-cyclohexane]-9a,10a-diyl diacetate [ACD/IUPAC Name]
Spiro[benzofuro[4,3,2-def][1,3]benzodioxepin-5,1'-cyclohexane]-2',6'-dione, 9a,10a-bis(acetyloxy)-1,2,3,7,8,9,9a,10a-octahydro-2,2,4',4',8,8-hexamethyl- [ACD/Index 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: 640.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 270.9±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 692.93
ACD/KOC (pH 5.5): 3758.10
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 692.93
ACD/KOC (pH 7.4): 3758.10
Polar Surface Area: 114 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 398.9±5.0 cm3

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