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)dibutan-1-one | C28H36O8

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

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID2955252

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)di(1-butanon) [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)di(1-butanone) [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)di(1-butanone) [French] [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)dibutan-1-one
1-Butanone, 1,1'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,13-diyl)bis- [ACD/Index Name]
1-(13-butanoyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j] [18]annulen-2-yl)butan-1-one
1-(13-butanoyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j][18]annulen-2-yl)butan-1-one
1,1'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)bis(butan-1-one)
67722-68-3 [RN]
AC1MWIA7
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 672.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.8±3.0 kJ/mol
    Flash Point: 283.6±31.5 °C
    Index of Refraction: 1.503
    Molar Refractivity: 134.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.69
    ACD/LogD (pH 5.5): 3.18
    ACD/BCF (pH 5.5): 152.78
    ACD/KOC (pH 5.5): 1273.41
    ACD/LogD (pH 7.4): 3.18
    ACD/BCF (pH 7.4): 152.78
    ACD/KOC (pH 7.4): 1273.41
    Polar Surface Area: 90 Å2
    Polarizability: 53.2±0.5 10-24cm3
    Surface Tension: 40.2±3.0 dyne/cm
    Molar Volume: 454.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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