ChemSpider 2D Image | Vatiquinone | C29H44O3

Vatiquinone

  • Molecular FormulaC29H44O3
  • Average mass440.658 Da
  • Monoisotopic mass440.329041 Da
  • ChemSpider ID26632368
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1213269-98-7 [RN]
2,5-Cyclohexadiene-1,4-dione, 2-[(3R,6E,10E)-3-hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl- [ACD/Index Name]
2-[(3R,6E,10E)-3-Hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(3R,6E,10E)-3-Hydroxy-3,7,11,15-tetramethyl-6,10,14-hexadecatrien-1-yl]-3,5,6-trimethyl-1,4-benzoquinone [ACD/IUPAC Name]
2-[(3R,6E,10E)-3-Hydroxy-3,7,11,15-tétraméthyl-6,10,14-hexadécatrién-1-yl]-3,5,6-triméthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-[(3R,6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-yl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
6O85FK9I0X
EPI-743
Vatiquinona [Spanish] [INN]
Vatiquinone [INN] [USAN]
More...

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

9604 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 565.6±39.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.6±6.0 kJ/mol
    Flash Point: 309.9±23.6 °C
    Index of Refraction: 1.512
    Molar Refractivity: 135.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 9.35
    ACD/LogD (pH 5.5): 8.18
    ACD/BCF (pH 5.5): 970852.06
    ACD/KOC (pH 5.5): 671696.00
    ACD/LogD (pH 7.4): 8.18
    ACD/BCF (pH 7.4): 970852.06
    ACD/KOC (pH 7.4): 671696.00
    Polar Surface Area: 54 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 450.5±3.0 cm3

    Click to predict properties on the Chemicalize site






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