ChemSpider 2D Image | 2,6-Bis(1-hydroxy-2-methyl-2-propanyl)hexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8-dione | C16H28N6O4

2,6-Bis(1-hydroxy-2-methyl-2-propanyl)hexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8-dione

  • Molecular FormulaC16H28N6O4
  • Average mass368.431 Da
  • Monoisotopic mass368.217194 Da
  • ChemSpider ID62405138

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H,4H,5H,8H-2,3a,4a,6,7a,8a-Hexaazacyclopenta[def]fluorene-4,8-dione, hexahydro-2,6-bis(2-hydroxy-1,1-dimethylethyl)- [ACD/Index Name]
2,6-Bis(1-hydroxy-2-methyl-2-propanyl)hexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluoren-4,8-dion [German] [ACD/IUPAC Name]
2,6-Bis(1-hydroxy-2-methyl-2-propanyl)hexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8-dione [ACD/IUPAC Name]
2,6-Bis(1-hydroxy-2-méthyl-2-propanyl)hexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorène-4,8-dione [French] [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: 542.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 281.7±30.1 °C
Index of Refraction: 1.693
Molar Refractivity: 94.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.71
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.67
ACD/KOC (pH 7.4): 168.74
Polar Surface Area: 94 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 246.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement