ChemSpider 2D Image | 1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-1,13-diyl)di(1-hexanone) | C32H44O8

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

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID24763640

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-1,13-diyl)di(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-1,13-diyl)di(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-1,13-diyl)di(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-1,13-diyl)bis- [ACD/Index Name]
1-(12-hexanoyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[3,4-a]benzo[j][18]annulen-2-yl)hexan-1-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 698.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 289.3±31.5 °C
Index of Refraction: 1.499
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20951.32
ACD/KOC (pH 5.5): 43122.99
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 20951.32
ACD/KOC (pH 7.4): 43122.99
Polar Surface Area: 90 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 520.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement