ChemSpider 2D Image | 3,3'-Tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis(6-methoxybenzoic acid) | C26H28O6

3,3'-Tricyclo[3.3.1.13,7]decane-1,3-diylbis(6-methoxybenzoic acid)

  • Molecular FormulaC26H28O6
  • Average mass436.497 Da
  • Monoisotopic mass436.188599 Da
  • ChemSpider ID24759539

More details:

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

1211483-87-2 [RN]
3,3'-Tricyclo[3.3.1.13,7]decan-1,3-diylbis(6-methoxybenzoesäure) [German] [ACD/IUPAC Name]
3,3'-Tricyclo[3.3.1.13,7]decane-1,3-diylbis(6-methoxybenzoic acid) [ACD/IUPAC Name]
Acide 3,3'-tricyclo[3.3.1.13,7]décane-1,3-diylbis(6-méthoxybenzoïque) [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-tricyclo[3.3.1.13,7]decane-1,3-diylbis[6-methoxy- [ACD/Index Name]
3,3'-TRicyclo[3.3.1.1(3,7)]decane-1,3-diylbis(6-methoxybenzoic acid)
5-[3-(3-carboxy-4-methoxyphenyl)-1-adamantyl]-2-methoxybenzoic acid
5-[3-(3-carboxy-4-methoxy-phenyl)-1-adamantyl]-2-methoxy-benzoic acid
5-[3-(3-carboxy-4-methoxyphenyl)adamantanyl]-2-methoxybenzoic acid
MFCD13704573 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 635.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.8±3.0 kJ/mol
    Flash Point: 216.5±25.0 °C
    Index of Refraction: 1.634
    Molar Refractivity: 118.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.48
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 14.54
    ACD/KOC (pH 5.5): 39.31
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.56
    Polar Surface Area: 93 Å2
    Polarizability: 46.8±0.5 10-24cm3
    Surface Tension: 62.3±3.0 dyne/cm
    Molar Volume: 330.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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