ChemSpider 2D Image | 4',4''(5'')-Divaleryldibenzo-18-crown-6 | C30H40O8

4',4''(5'')-Divaleryldibenzo-18-crown-6

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID2016020

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-pentanon) [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-pentanone) [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-pentanone) [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)dipentan-1-one
1-Pentanone, 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]
4',4''(5'')-Divaleryldibenzo-18-crown-6
74966-25-9 [RN]
1-(13-pentanoyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j ][18]annulen-2-yl)pentan-1-one
1-(13-pentanoyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j][18]annulen-2-yl)pentan-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(pentan-1-one)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC04284025 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 688.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±3.0 kJ/mol
    Flash Point: 287.8±31.5 °C
    Index of Refraction: 1.501
    Molar Refractivity: 143.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.76
    ACD/LogD (pH 5.5): 4.17
    ACD/BCF (pH 5.5): 875.64
    ACD/KOC (pH 5.5): 4443.41
    ACD/LogD (pH 7.4): 4.17
    ACD/BCF (pH 7.4): 875.64
    ACD/KOC (pH 7.4): 4443.41
    Polar Surface Area: 90 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 39.8±3.0 dyne/cm
    Molar Volume: 487.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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