ChemSpider 2D Image | 1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)bis(6-amino-1-hexanone) | C32H46N2O8

1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)bis(6-amino-1-hexanone)

  • Molecular FormulaC32H46N2O8
  • Average mass586.716 Da
  • Monoisotopic mass586.325439 Da
  • ChemSpider ID4363197

More details:

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

1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,13-diyl)bis(6-amino-1-hexanon) [German] [ACD/IUPAC Name]
1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)bis(6-amino-1-hexanone) [ACD/IUPAC Name]
1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécine-2,13-diyl)bis(6-amino-1-hexanone) [French] [ACD/IUPAC Name]
1-Hexanone, 1,1'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,13-diyl)bis[6-amino- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 766.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 201.7±29.2 °C
Index of Refraction: 1.518
Molar Refractivity: 159.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 527.7±3.0 cm3

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