ChemSpider 2D Image | Ethyl 3-(3-sec-butyl-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-7-yl)propanoate | C22H29NO5

Ethyl 3-(3-sec-butyl-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-7-yl)propanoate

  • Molecular FormulaC22H29NO5
  • Average mass387.469 Da
  • Monoisotopic mass387.204559 Da
  • ChemSpider ID21630745

More details:

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

2H,8H-Pyrano[3,2-g]-1,3-benzoxazine-7-propanoic acid, 3,4-dihydro-6,10-dimethyl-3-(1-methylpropyl)-8-oxo-, ethyl ester [ACD/Index Name]
3-(3-sec-Butyl-6,10-diméthyl-8-oxo-3,4-dihydro-2H,8H-chroméno[6,7-e][1,3]oxazin-7-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(3-sec-butyl-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-7-yl)propanoate [ACD/IUPAC Name]
Ethyl-3-(3-sec-butyl-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-7-yl)propanoat [German] [ACD/IUPAC Name]
929834-42-4 [RN]
AGN-PC-01KK46
AKOS022125795
ethyl 3-(3-(sec-butyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)propanoate
ethyl 3-(3-butan-2-yl-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl)propanoate
ethyl 3-[3-(butan-2-yl)-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-7-yl]propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 515.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.7±3.0 kJ/mol
    Flash Point: 265.3±30.1 °C
    Index of Refraction: 1.538
    Molar Refractivity: 105.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.56
    ACD/LogD (pH 5.5): 4.02
    ACD/BCF (pH 5.5): 502.40
    ACD/KOC (pH 5.5): 2141.57
    ACD/LogD (pH 7.4): 4.51
    ACD/BCF (pH 7.4): 1573.02
    ACD/KOC (pH 7.4): 6705.24
    Polar Surface Area: 65 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 41.1±3.0 dyne/cm
    Molar Volume: 337.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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