ChemSpider 2D Image | 2,2',3,3'-Tetramethyl 1,1'-methylene bis(4,5,5-trimethyl-6-oxo-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate) | C29H32O16

2,2',3,3'-Tetramethyl 1,1'-methylene bis(4,5,5-trimethyl-6-oxo-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate)

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID74181005

More details:

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

2,2',3,3'-Tetramethyl 1,1'-methylene bis(4,5,5-trimethyl-6-oxo-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate) [ACD/IUPAC Name]
2,2',3,3'-Tetramethyl-1,1'-methylen-bis(4,5,5-trimethyl-6-oxo-7-oxabicyclo[2.2.1]hept-2-en-1,2,3-tricarboxylat) [German] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylic acid, 4,5,5-trimethyl-6-oxo-, 2,2',3,3'-tetramethyl 1,1'-methylene ester [ACD/Index Name]
Bis(4,5,5-triméthyl-6-oxo-7-oxabicyclo[2.2.1]hept-2-ène-1,2,3-tricarboxylate) de 2,2',3,3'-tétraméthyle et de 1,1'-méthylène [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 284.1±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3562.80
ACD/KOC (pH 5.5): 12132.95
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3562.80
ACD/KOC (pH 7.4): 12132.95
Polar Surface Area: 210 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 440.5±3.0 cm3

Click to predict properties on the Chemicalize site


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