ChemSpider 2D Image | 4,4'-(2Z,4Z)-(2,5-~2~H_2_)-2,4-Hexadiene-3,4-diyldiphenol | C18H16D2O2

4,4'-(2Z,4Z)-(2,5-2H2)-2,4-Hexadiene-3,4-diyldiphenol

  • Molecular FormulaC18H16D2O2
  • Average mass268.347 Da
  • Monoisotopic mass268.143219 Da
  • ChemSpider ID48058426

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

4,4'-(2Z,4Z)-(2,5-2H2)-2,4-Hexadien-3,4-diyldiphenol [German] [ACD/IUPAC Name]
4,4'-(2Z,4Z)-(2,5-2H2)-2,4-Hexadiene-3,4-diyldiphenol [ACD/IUPAC Name]
4,4'-(2Z,4Z)-(2,5-2H2)-2,4-Hexadiène-3,4-diyldiphénol [French] [ACD/IUPAC Name]
Phenol, 4,4'-[(1Z,2Z)-1,2-di(ethylidene-1-d)-1,2-ethanediyl]bis- [ACD/Index Name]
1346606-45-8 [RN]
2,6-dideuterio-4-[(2Z,4Z)-2,5-dideuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
4-[(2Z,4Z)-2,5-dideuterio-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
91297-99-3 [RN]
z,z-dienestrol-d2
Z,Z-Dienestrol-d6

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 395.4±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±3.0 kJ/mol
    Flash Point: 181.4±16.9 °C
    Index of Refraction: 1.624
    Molar Refractivity: 83.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.41
    ACD/LogD (pH 5.5): 4.50
    ACD/BCF (pH 5.5): 1537.38
    ACD/KOC (pH 5.5): 6648.05
    ACD/LogD (pH 7.4): 4.49
    ACD/BCF (pH 7.4): 1534.85
    ACD/KOC (pH 7.4): 6637.10
    Polar Surface Area: 40 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 235.9±3.0 cm3

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