ChemSpider 2D Image | 1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methyl-2-buten-1-yl)-5-hepten-2-one | C25H35NO4

1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methyl-2-buten-1-yl)-5-hepten-2-one

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID21918479

More details:

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

1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-5-yl)-6-methyl-3-(3-methyl-2-buten-1-yl)-5-hepten-2-on [German] [ACD/IUPAC Name]
1-(4-Méthoxy-6-méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-5-yl)-6-méthyl-3-(3-méthyl-2-butén-1-yl)-5-heptén-2-one [French] [ACD/IUPAC Name]
1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methyl-2-buten-1-yl)-5-hepten-2-one [ACD/IUPAC Name]
5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)- [ACD/Index Name]
1-(4-METHOXY-6-METHYL-7,8-DIHYDRO-5H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-YL)-6-METHYL-3-(3-METHYLBUT-2-ENYL)HEPT-5-EN-2-ONE
376377-21-8 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 525.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.9±3.0 kJ/mol
    Flash Point: 271.3±30.1 °C
    Index of Refraction: 1.532
    Molar Refractivity: 119.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 6.22
    ACD/LogD (pH 5.5): 4.24
    ACD/BCF (pH 5.5): 432.30
    ACD/KOC (pH 5.5): 1025.01
    ACD/LogD (pH 7.4): 5.57
    ACD/BCF (pH 7.4): 9319.98
    ACD/KOC (pH 7.4): 22098.21
    Polar Surface Area: 48 Å2
    Polarizability: 47.4±0.5 10-24cm3
    Surface Tension: 37.5±3.0 dyne/cm
    Molar Volume: 386.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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