ChemSpider 2D Image | (+)-taxadienone | C20H30O

(+)-taxadienone

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID26325062
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(+)-taxadienone
(+)-Taxa-4(5),11(12)-dien-2-one
6,10-Methanobenzocyclodecen-5(1H)-one, 2,4a,6,7,8,11,12,12a-octahydro-4,9,12a,13,13-pentamethyl-, (4aS,6R,12aS)- [ACD/Index Name]
Taxa-4,11-dien-2-on [German] [ACD/IUPAC Name]
Taxa-4,11-dien-2-one [ACD/IUPAC Name]
Taxa-4,11-dién-2-one [French] [ACD/IUPAC Name]
Taxadienone [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 381.5±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 160.9±22.6 °C
Index of Refraction: 1.525
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19115.24
ACD/KOC (pH 5.5): 40382.93
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19115.24
ACD/KOC (pH 7.4): 40382.93
Polar Surface Area: 17 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 35.8±5.0 dyne/cm
Molar Volume: 286.4±5.0 cm3

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