ChemSpider 2D Image | Tetramethyl (1R,3S,5R)-2,6-dioxobicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylate | C17H20O10

Tetramethyl (1R,3S,5R)-2,6-dioxobicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylate

  • Molecular FormulaC17H20O10
  • Average mass384.335 Da
  • Monoisotopic mass384.105652 Da
  • ChemSpider ID34452232

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,3S,5R)-2,6-Dioxobicyclo[3.3.1]nonane-1,3,5,7-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylic acid, 2,6-dioxo-, tetramethyl ester, (1R,3S,5R)- [ACD/Index Name]
Tetramethyl (1R,3S,5R)-2,6-dioxobicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(1R,3S,5R)-2,6-dioxobicyclo[3.3.1]nonan-1,3,5,7-tetracarboxylat [German] [ACD/IUPAC Name]
(1R,3S,5R)-tetramethyl 2,6-dioxobicyclo[3.3.1]nonane-1,3,5,7-tetracarboxylate
(1R,3S,5R)-Tetramethyl 2,6-dioxobicyclo-[3.3.1]nonane-1,3,5,7-tetracarboxylate
315207-70-6 [RN]
MFCD28142753

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 500.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.9±3.0 kJ/mol
    Flash Point: 219.6±30.2 °C
    Index of Refraction: 1.522
    Molar Refractivity: 83.4±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 3.69
    ACD/KOC (pH 5.5): 88.47
    ACD/LogD (pH 7.4): 0.87
    ACD/BCF (pH 7.4): 2.46
    ACD/KOC (pH 7.4): 58.89
    Polar Surface Area: 139 Å2
    Polarizability: 33.1±0.5 10-24cm3
    Surface Tension: 57.3±3.0 dyne/cm
    Molar Volume: 273.6±3.0 cm3

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