ChemSpider 2D Image | (1S,9R,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol | C19H27NO

(1S,9R,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol

  • Molecular FormulaC19H27NO
  • Average mass285.424 Da
  • Monoisotopic mass285.209259 Da
  • ChemSpider ID73983291

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,9R,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1S,9R,13S)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1S,9R,13S)-1,13-Diméthyl-10-(3-méthyl-2-butén-1-yl)-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6S,11S)- [ACD/Index Name]
MFCD04041217

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 403.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 180.8±27.4 °C
    Index of Refraction: 1.554
    Molar Refractivity: 88.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.53
    ACD/LogD (pH 5.5): 0.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.21
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 13.07
    ACD/KOC (pH 7.4): 79.94
    Polar Surface Area: 23 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 37.6±3.0 dyne/cm
    Molar Volume: 275.2±3.0 cm3

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