ChemSpider 2D Image | (1R,9R,10R,13S)-7-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadeca-4,7,14-trien-6-one | C19H24O2

(1R,9R,10R,13S)-7-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one

  • Molecular FormulaC19H24O2
  • Average mass284.393 Da
  • Monoisotopic mass284.177643 Da
  • ChemSpider ID57641930
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,9R,10R,13S)-7-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-on [German] [ACD/IUPAC Name]
(1R,9R,10R,13S)-7-Hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one [ACD/IUPAC Name]
(1R,9R,10R,13S)-7-Hydroxy-5,9,13-triméthyltétracyclo[11.2.1.01,10.04,9]hexadéca-4,7,14-trién-6-one [French] [ACD/IUPAC Name]
193969-13-0 [RN]
ent-2-hydroxy-norbeyer-1,4,15-trien-3-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 188.4±21.3 °C
Index of Refraction: 1.598
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2678.48
ACD/KOC (pH 5.5): 9888.69
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2460.60
ACD/KOC (pH 7.4): 9084.30
Polar Surface Area: 37 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 241.9±5.0 cm3

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