ChemSpider 2D Image | 2-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-5-[(pentamethylbenzyl)oxy]-4H-pyran-4-one | C29H35NO5

2-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-5-[(pentamethylbenzyl)oxy]-4H-pyran-4-one

  • Molecular FormulaC29H35NO5
  • Average mass477.592 Da
  • Monoisotopic mass477.251526 Da
  • ChemSpider ID24601399

More details:

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

2-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)methyl]-5-[(pentamethylbenzyl)oxy]-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)méthyl]-5-[(pentaméthylbenzyl)oxy]-4H-pyran-4-one [French] [ACD/IUPAC Name]
2-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-5-[(pentamethylbenzyl)oxy]-4H-pyran-4-one [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methoxy]- [ACD/Index Name]
1190293-98-1 [RN]
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methoxy]pyran-4-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 666.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.9±3.0 kJ/mol
    Flash Point: 356.6±31.5 °C
    Index of Refraction: 1.599
    Molar Refractivity: 136.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 6.07
    ACD/LogD (pH 5.5): 4.26
    ACD/BCF (pH 5.5): 556.68
    ACD/KOC (pH 5.5): 1559.59
    ACD/LogD (pH 7.4): 5.31
    ACD/BCF (pH 7.4): 6162.63
    ACD/KOC (pH 7.4): 17265.28
    Polar Surface Area: 57 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 50.9±5.0 dyne/cm
    Molar Volume: 399.1±5.0 cm3

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