ChemSpider 2D Image | Hexamethyl (2S,10R)-5,11-dioxotricyclo[5.5.0.0~2,10~]dodeca-3,8-diene-2,3,4,8,9,10-hexacarboxylate | C24H24O14

Hexamethyl (2S,10R)-5,11-dioxotricyclo[5.5.0.02,10]dodeca-3,8-diene-2,3,4,8,9,10-hexacarboxylate

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID8681915

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S,10R)-5,11-Dioxotricyclo[5.5.0.02,10]dodéca-3,8-diène-2,3,4,8,9,10-hexacarboxylate de hexaméthyle [French] [ACD/IUPAC Name]
1,4-Ethenoazulene-1,7,8,8a,9,10-hexacarboxylic acid, 2,3,3a,4,5,6-hexahydro-2,6-dioxo-, hexamethyl ester, (1R,8aS)- [ACD/Index Name]
Hexamethyl (2S,10R)-5,11-dioxotricyclo[5.5.0.02,10]dodeca-3,8-diene-2,3,4,8,9,10-hexacarboxylate [ACD/IUPAC Name]
Hexamethyl-(2S,10R)-5,11-dioxotricyclo[5.5.0.02,10]dodeca-3,8-dien-2,3,4,8,9,10-hexacarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 642.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 273.6±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.71
ACD/KOC (pH 5.5): 834.87
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.71
ACD/KOC (pH 7.4): 834.87
Polar Surface Area: 192 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

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