ChemSpider 2D Image | 9-deoxyelatol | C15H22BrCl

9-deoxyelatol

  • Molecular FormulaC15H22BrCl
  • Average mass317.692 Da
  • Monoisotopic mass316.059326 Da
  • ChemSpider ID23076772
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6R,8S)-8-Brom-2-chlor-3,7,7-trimethyl-11-methylenspiro[5.5]undec-2-en [German] [ACD/IUPAC Name]
(6R,8S)-8-Bromo-2-chloro-3,7,7-trimethyl-11-methylenespiro[5.5]undec-2-ene [ACD/IUPAC Name]
(6R,8S)-8-Bromo-2-chloro-3,7,7-triméthyl-11-méthylènespiro[5.5]undéc-2-ène [French] [ACD/IUPAC Name]
(6R,8S)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
9-deoxyelatol
Spiro[5.5]undec-2-ene, 8-bromo-2-chloro-3,7,7-trimethyl-11-methylene-, (6R,8S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 356.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 216.6±18.0 °C
Index of Refraction: 1.537
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77876.77
ACD/KOC (pH 5.5): 110369.74
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77876.77
ACD/KOC (pH 7.4): 110369.74
Polar Surface Area: 0 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 36.0±5.0 dyne/cm
Molar Volume: 252.9±5.0 cm3

Click to predict properties on the Chemicalize site






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