ChemSpider 2D Image | 4,6-Dimethoxy-1-pentahelicenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C34H30O6

4,6-Dimethoxy-1-pentahelicenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

  • Molecular FormulaC34H30O6
  • Average mass534.598 Da
  • Monoisotopic mass534.204224 Da
  • ChemSpider ID8753616

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4R)-4,7,7-Triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate de 4,6-diméthoxy-1-pentahelicényle [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 5,7-dimethoxydibenzo[c,g]phenanthren-10-yl ester, (1S,4R)- [ACD/Index Name]
4,6-Dimethoxy-1-pentahelicenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
4,6-Dimethoxy-1-pentahelicenyl-(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat [German] [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: 755.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 42900.70
ACD/KOC (pH 5.5): 72027.95
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 42900.70
ACD/KOC (pH 7.4): 72027.95
Polar Surface Area: 71 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 408.3±3.0 cm3

Click to predict properties on the Chemicalize site


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