ChemSpider 2D Image | debromo-obtusol | C15H24BrClO

debromo-obtusol

  • Molecular FormulaC15H24BrClO
  • Average mass335.707 Da
  • Monoisotopic mass334.069885 Da
  • ChemSpider ID27025871

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,6R,8S,9S)-9-Brom-8-chlor-1,1,9-trimethyl-5-methylenspiro[5.5]undecan-3-ol [German] [ACD/IUPAC Name]
(3S,6R,8S,9S)-9-Bromo-8-chloro-1,1,9-trimethyl-5-methylenespiro[5.5]undecan-3-ol [ACD/IUPAC Name]
(3S,6R,8S,9S)-9-Bromo-8-chloro-1,1,9-triméthyl-5-méthylènespiro[5.5]undécan-3-ol [French] [ACD/IUPAC Name]
debromo-obtusol
Spiro[5.5]undecan-3-ol, 9-bromo-8-chloro-1,1,9-trimethyl-5-methylene-, (3S,6R,8S,9S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 389.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 189.1±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3632.33
ACD/KOC (pH 5.5): 12301.96
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3632.33
ACD/KOC (pH 7.4): 12301.96
Polar Surface Area: 20 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 258.4±5.0 cm3

Click to predict properties on the Chemicalize site


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