Found 27 results

Search term: MF = 'C_{36}H_{28}O_{4}'
ChemSpider 2D Image | 3-Hexahelicenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C36H28O4

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

  • Molecular FormulaC36H28O4
  • Average mass524.605 Da
  • Monoisotopic mass524.198730 Da
  • ChemSpider ID9192008

  • 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 3-hexahelicényle [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, benzo[c]naphtho[1,2-g]phenanthren-10-yl ester, (1S,4R)- [ACD/Index Name]
3-Hexahelicenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
3-Hexahelicenyl-(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: 770.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 403.9±26.6 °C
Index of Refraction: 1.754
Molar Refractivity: 161.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.67
ACD/BCF (pH 5.5): 398589.94
ACD/KOC (pH 5.5): 355164.34
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 398589.94
ACD/KOC (pH 7.4): 355164.34
Polar Surface Area: 53 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 394.4±3.0 cm3

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