ChemSpider 2D Image | (4E,8E,11S)-5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one | C15H20O2

(4E,8E,11S)-5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID29419762
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4E,8E,11S)-5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-on [German] [ACD/IUPAC Name]
(4E,8E,11S)-5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one [ACD/IUPAC Name]
(4E,8E,11S)-5,9-Diméthyl-12-oxabicyclo[9.2.1]tétradéca-1(14),4,8-trién-13-one [French] [ACD/IUPAC Name]
12-Oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one, 5,9-dimethyl-, (4E,8E,11S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 411.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 173.4±23.1 °C
Index of Refraction: 1.528
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.40
ACD/KOC (pH 5.5): 1771.96
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.40
ACD/KOC (pH 7.4): 1771.96
Polar Surface Area: 26 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 221.9±5.0 cm3

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