ChemSpider 2D Image | Tetraethyl 3'-oxo-2',3',5',7'-tetrahydro-3H,6'H-spiro[cyclobutane-1,1'-[s]indacene]-3,3,6',6'-tetracarboxylate | C27H32O9

Tetraethyl 3'-oxo-2',3',5',7'-tetrahydro-3H,6'H-spiro[cyclobutane-1,1'-[s]indacene]-3,3,6',6'-tetracarboxylate

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID9447003

More details:






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

Spiro[cyclobutane-1,1'(6'H)-[s]indacene]-3,3,6',6'-tetracarboxylic acid, 2',3',5',7'-tetrahydro-3'-oxo-, tetraethyl ester [ACD/Index Name]
Tetraethyl 3'-oxo-2',3',5',7'-tetrahydro-3H,6'H-spiro[cyclobutane-1,1'-[s]indacene]-3,3,6',6'-tetracarboxylate [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 569.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 241.4±30.2 °C
Index of Refraction: 1.566
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1581.51
ACD/KOC (pH 5.5): 6784.11
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1581.51
ACD/KOC (pH 7.4): 6784.11
Polar Surface Area: 122 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 384.3±5.0 cm3

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