ChemSpider 2D Image | (8beta)-8-(2-Methylbutoxy)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraene | C25H38O

(8β)-8-(2-Methylbutoxy)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraene

  • Molecular FormulaC25H38O
  • Average mass354.569 Da
  • Monoisotopic mass354.292267 Da
  • ChemSpider ID26348156

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(8β)-8-(2-Methylbutoxy)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen [German] [ACD/IUPAC Name]
(8β)-8-(2-Methylbutoxy)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraene [ACD/IUPAC Name]
(8β)-8-(2-Méthylbutoxy)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tétraène [French] [ACD/IUPAC Name]
Pentalene, 2-hexyl-1,3a,4,5,6,6a-hexahydro-3a-(2-methylbutoxy)-3-phenyl-, (3aS,6aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 450.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 226.2±18.6 °C
Index of Refraction: 1.527
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.73
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 816808.69
ACD/LogD (pH 7.4): 8.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 816808.69
Polar Surface Area: 9 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 363.6±5.0 cm3

Click to predict properties on the Chemicalize site


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