ChemSpider 2D Image | Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1R,2S)-3,3-dimethoxy-1,2-cyclobutanedicarboxylate | C28H48O6

Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1R,2S)-3,3-dimethoxy-1,2-cyclobutanedicarboxylate

  • Molecular FormulaC28H48O6
  • Average mass480.677 Da
  • Monoisotopic mass480.345093 Da
  • ChemSpider ID57546551

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S)-3,3-Diméthoxy-1,2-cyclobutanedicarboxylate de bis[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
1,2-Cyclobutanedicarboxylic acid, 3,3-dimethoxy-, bis[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, (1R,2S)- [ACD/Index Name]
Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1R,2S)-3,3-dimethoxy-1,2-cyclobutanedicarboxylate [ACD/IUPAC Name]
Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-(1R,2S)-3,3-dimethoxy-1,2-cyclobutandicarboxylat [German] [ACD/IUPAC Name]
(1S,2R)-3,3-DIMETHOXY-1,2-CYCLOBUTANEDICARBOXYLIC ACID DI-L-MENTHOL ESTER
138736-91-1 [RN]
Bis[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl] (1R,2S)-3,3-dimethoxycyclobutane-1,2-dicarboxylate
MFCD31562825

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 523.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±3.0 kJ/mol
    Flash Point: 217.7±30.2 °C
    Index of Refraction: 1.494
    Molar Refractivity: 132.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 8.33
    ACD/LogD (pH 5.5): 7.82
    ACD/BCF (pH 5.5): 514930.47
    ACD/KOC (pH 5.5): 426619.91
    ACD/LogD (pH 7.4): 7.82
    ACD/BCF (pH 7.4): 514930.47
    ACD/KOC (pH 7.4): 426619.91
    Polar Surface Area: 71 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 38.2±5.0 dyne/cm
    Molar Volume: 454.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement