ChemSpider 2D Image | 1,1'-[(1S,2S,3S,4S)-3,4-Dimethyl-1,2-cyclobutanediyl]bis(2,4,5-trimethoxybenzene) | C24H32O6

1,1'-[(1S,2S,3S,4S)-3,4-Dimethyl-1,2-cyclobutanediyl]bis(2,4,5-trimethoxybenzene)

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID111307607

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,1'-[(1S,2S,3S,4S)-3,4-Dimethyl-1,2-cyclobutandiyl]bis(2,4,5-trimethoxybenzol) [German] [ACD/IUPAC Name]
1,1'-[(1S,2S,3S,4S)-3,4-Dimethyl-1,2-cyclobutanediyl]bis(2,4,5-trimethoxybenzene) [ACD/IUPAC Name]
1,1'-[(1S,2S,3S,4S)-3,4-Diméthyl-1,2-cyclobutanediyl]bis(2,4,5-triméthoxybenzène) [French] [ACD/IUPAC Name]
Benzene, 1,1'-[(1S,2S,3S,4S)-3,4-dimethyl-1,2-cyclobutanediyl]bis[2,4,5-trimethoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 194.2±28.6 °C
Index of Refraction: 1.522
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4630.37
ACD/KOC (pH 5.5): 14636.61
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4630.37
ACD/KOC (pH 7.4): 14636.61
Polar Surface Area: 55 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 383.3±3.0 cm3

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