ChemSpider 2D Image | Isopropyl 3-oxo-2-[(3-oxo-5-phenyl-1-cyclohexen-1-yl)oxy]butanoate | C19H22O5

Isopropyl 3-oxo-2-[(3-oxo-5-phenyl-1-cyclohexen-1-yl)oxy]butanoate

  • Molecular FormulaC19H22O5
  • Average mass330.375 Da
  • Monoisotopic mass330.146729 Da
  • ChemSpider ID28611846

More details:

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

1374509-66-6 [RN]
3-Oxo-2-[(3-oxo-5-phényl-1-cyclohexén-1-yl)oxy]butanoate d'isopropyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-oxo-2-[(3-oxo-5-phenyl-1-cyclohexen-1-yl)oxy]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 3-oxo-2-[(3-oxo-5-phenyl-1-cyclohexen-1-yl)oxy]butanoate [ACD/IUPAC Name]
Isopropyl-3-oxo-2-[(3-oxo-5-phenyl-1-cyclohexen-1-yl)oxy]butanoat [German] [ACD/IUPAC Name]
3-Oxo-2-(3-oxo-5-phenyl-cyclohex-1-enyloxy)-butyric acid isopropyl ester
butanoic acid, 3-oxo-2-[(3-oxo-5-phenyl-1-cyclohexen-1-yl)oxy], 1-methylethyl ester
Isopropyl 3-oxo-2-((5-oxo-1,2,5,6-tetrahydro-[1,1'-biphenyl]-3-yl)oxy)butanoate
isopropyl 3-oxo-2-[(3-oxo-5-phenylcyclohex-1-en-1-yl)oxy]butanoate
MFCD22374929 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 485.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 213.1±28.8 °C
    Index of Refraction: 1.538
    Molar Refractivity: 88.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.02
    ACD/LogD (pH 5.5): 3.20
    ACD/BCF (pH 5.5): 159.13
    ACD/KOC (pH 5.5): 1311.06
    ACD/LogD (pH 7.4): 3.20
    ACD/BCF (pH 7.4): 159.13
    ACD/KOC (pH 7.4): 1311.03
    Polar Surface Area: 70 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 44.4±5.0 dyne/cm
    Molar Volume: 282.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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