ChemSpider 2D Image | Tetraethyl 3,7,11,15-tetramethyl-1,4,5,8,9,12,13,16-octahydrotripyrrolo[2',3':10,11;2'',3'':4,5;2''',3''':7,8]cyclododeca[1,2-b]pyrrole-2,6,10,14-tetracarboxylate | C36H44N4O8

Tetraethyl 3,7,11,15-tetramethyl-1,4,5,8,9,12,13,16-octahydrotripyrrolo[2',3':10,11;2'',3'':4,5;2''',3''':7,8]cyclododeca[1,2-b]pyrrole-2,6,10,14-tetracarboxylate

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID8803510

More details:

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

3,7,11,15-Tétraméthyl-1,4,5,8,9,12,13,16-octahydrotripyrrolo[2',3':10,11;2'',3'':4,5;2''',3''':7,8]cyclododéca[1,2-b]pyrrole-2,6,10,14-tétracarboxylate de tétraéthyle [French] [ACD/IUPAC Name]
Cyclododeca[1,12-b:10,9-b':4,3-b'':7,6-b''']tetrapyrrole-2,6,10,14-tetracarboxylic acid, 1,4,5,8,9,12,13,16-octahydro-3,7,11,15-tetramethyl-, tetraethyl ester [ACD/Index Name]
Tetraethyl 3,7,11,15-tetramethyl-1,4,5,8,9,12,13,16-octahydrotripyrrolo[2',3':10,11;2'',3'':4,5;2''',3''':7,8]cyclododeca[1,2-b]pyrrole-2,6,10,14-tetracarboxylate [ACD/IUPAC Name]
Tetraethyl-3,7,11,15-tetramethyl-1,4,5,8,9,12,13,16-octahydrotripyrrolo[2',3':10,11;2'',3'':4,5;2''',3''':7,8]cyclododeca[1,2-b]pyrrol-2,6,10,14-tetracarboxylat [German] [ACD/IUPAC 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: 886.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 489.9±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 294519.03
ACD/KOC (pH 5.5): 284386.78
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 300361.63
ACD/KOC (pH 7.4): 290028.38
Polar Surface Area: 168 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 528.1±3.0 cm3

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