ChemSpider 2D Image | (1S,5S,6S,7S)-3-Methoxy-6-methyl-7-phenylbicyclo[3.2.1]oct-3-ene-2,8-dione | C16H16O3

(1S,5S,6S,7S)-3-Methoxy-6-methyl-7-phenylbicyclo[3.2.1]oct-3-ene-2,8-dione

  • Molecular FormulaC16H16O3
  • Average mass256.296 Da
  • Monoisotopic mass256.109955 Da
  • ChemSpider ID30659023

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,5S,6S,7S)-3-Methoxy-6-methyl-7-phenylbicyclo[3.2.1]oct-3-en-2,8-dion [German] [ACD/IUPAC Name]
(1S,5S,6S,7S)-3-Methoxy-6-methyl-7-phenylbicyclo[3.2.1]oct-3-ene-2,8-dione [ACD/IUPAC Name]
(1S,5S,6S,7S)-3-Méthoxy-6-méthyl-7-phénylbicyclo[3.2.1]oct-3-ène-2,8-dione [French] [ACD/IUPAC Name]
Bicyclo[3.2.1]oct-3-ene-2,8-dione, 3-methoxy-6-methyl-7-phenyl-, (1S,5S,6S,7S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 441.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 197.8±28.8 °C
Index of Refraction: 1.578
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.78
ACD/KOC (pH 5.5): 394.81
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 25.38
ACD/KOC (pH 7.4): 336.48
Polar Surface Area: 43 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 212.5±5.0 cm3

Click to predict properties on the Chemicalize site


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