ChemSpider 2D Image | (6R,7R)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-6,7-diyl (2Z,2'Z)bis(2-methyl-2-butenoate) | C24H26O7

(6R,7R)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-6,7-diyl (2Z,2'Z)bis(2-methyl-2-butenoate)

  • Molecular FormulaC24H26O7
  • Average mass426.459 Da
  • Monoisotopic mass426.167847 Da
  • ChemSpider ID22871683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z,2'Z)Bis(2-méthyl-2-buténoate) de (6R,7R)-8,8-diméthyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromène-6,7-diyle [French] [ACD/IUPAC Name]
(6R,7R)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6,7-diyl-(2Z,2'Z)bis(2-methyl-2-butenoat) [German] [ACD/IUPAC Name]
(6R,7R)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-6,7-diyl (2Z,2'Z)bis(2-methyl-2-butenoate) [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (6R,7R)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-6,7-diyl ester, (2Z,2'Z)- [ACD/Index Name]
[(3R,4R)-2,2-dimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate
21800-48-6 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 534.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.1±3.0 kJ/mol
    Flash Point: 229.9±30.2 °C
    Index of Refraction: 1.573
    Molar Refractivity: 112.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.99
    ACD/LogD (pH 5.5): 5.18
    ACD/BCF (pH 5.5): 5127.15
    ACD/KOC (pH 5.5): 15744.24
    ACD/LogD (pH 7.4): 5.18
    ACD/BCF (pH 7.4): 5127.15
    ACD/KOC (pH 7.4): 15744.24
    Polar Surface Area: 88 Å2
    Polarizability: 44.6±0.5 10-24cm3
    Surface Tension: 49.4±5.0 dyne/cm
    Molar Volume: 341.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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