ChemSpider 2D Image | 2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one | C30H36O6

2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC30H36O6
  • Average mass492.603 Da
  • Monoisotopic mass492.251190 Da
  • ChemSpider ID33823565

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
2-{3-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-2,4-dihydroxy-5-(3-méthyl-2-butén-1-yl)phényl}-5,7-dihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2,3-dihydro-5,7-dihydroxy- [ACD/Index Name]
[1351931-30-0] [RN]
1351931-30-0 [RN]
2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
MFCD23103623
Sanggenol P

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 713.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±3.0 kJ/mol
    Flash Point: 232.5±26.4 °C
    Index of Refraction: 1.610
    Molar Refractivity: 141.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 8.69
    ACD/LogD (pH 5.5): 7.45
    ACD/BCF (pH 5.5): 268809.63
    ACD/KOC (pH 5.5): 266423.13
    ACD/LogD (pH 7.4): 7.03
    ACD/BCF (pH 7.4): 103493.16
    ACD/KOC (pH 7.4): 102574.35
    Polar Surface Area: 107 Å2
    Polarizability: 56.3±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 409.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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