ChemSpider 2D Image | Dendroban-12-one | C16H25NO2

Dendroban-12-one

  • Molecular FormulaC16H25NO2
  • Average mass263.375 Da
  • Monoisotopic mass263.188538 Da
  • ChemSpider ID58780904

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

5,8-Methano-6H-7-oxa-1-azacyclopent[cd]azulen-6-one, decahydro-1,8b-dimethyl-9-(1-methylethyl)-, (2aS,4aS,8R,8aS,8bR,9S)- [ACD/Index Name]
Dendroban-12-on [German] [ACD/IUPAC Name]
Dendroban-12-one [ACD/IUPAC Name]
Dendroban-12-one [French] [ACD/IUPAC Name]
2115-91-5 [RN]
Dendrobine [Wiki]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 374.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.2±3.0 kJ/mol
    Flash Point: 132.8±14.0 °C
    Index of Refraction: 1.526
    Molar Refractivity: 73.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): -1.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.81
    Polar Surface Area: 30 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 239.1±3.0 cm3

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