ChemSpider 2D Image | 6,11-Dimethyl-1,16-tetraphenylenediyl bis{[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate} | C46H48O8S2

6,11-Dimethyl-1,16-tetraphenylenediyl bis{[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate}

  • Molecular FormulaC46H48O8S2
  • Average mass792.998 Da
  • Monoisotopic mass792.279053 Da
  • ChemSpider ID30658862

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6,11-Dimethyl-1,16-tetraphenylendiyl-bis{[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methansulfonat} [German] [ACD/IUPAC Name]
6,11-Dimethyl-1,16-tetraphenylenediyl bis{[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate} [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, 6,11-dimethyl-1,16-tetraphenylenediyl ester, (1S,4R)- [ACD/Index Name]
Bis{[(1S,4R)-7,7-diméthyl-2-oxobicyclo[2.2.1]hept-1-yl]méthanesulfonate} de 6,11-diméthyl-1,16-tétraphénylènediyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 219.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 570469.88
ACD/KOC (pH 5.5): 459073.69
ACD/LogD (pH 7.4): 7.88
ACD/BCF (pH 7.4): 570469.88
ACD/KOC (pH 7.4): 459073.69
Polar Surface Area: 138 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 600.1±3.0 cm3

Click to predict properties on the Chemicalize site


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