ChemSpider 2D Image | (2S,3R,6S,8R)-8-Bromo-2-chloro-3,7,7-trimethyl-11-methylenespiro[5.5]undecan-3-ol | C15H24BrClO

(2S,3R,6S,8R)-8-Bromo-2-chloro-3,7,7-trimethyl-11-methylenespiro[5.5]undecan-3-ol

  • Molecular FormulaC15H24BrClO
  • Average mass335.707 Da
  • Monoisotopic mass334.069885 Da
  • ChemSpider ID29216558

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,6S,8R)-8-Brom-2-chlor-3,7,7-trimethyl-11-methylenspiro[5.5]undecan-3-ol [German] [ACD/IUPAC Name]
(2S,3R,6S,8R)-8-Bromo-2-chloro-3,7,7-trimethyl-11-methylenespiro[5.5]undecan-3-ol [ACD/IUPAC Name]
(2S,3R,6S,8R)-8-Bromo-2-chloro-3,7,7-triméthyl-11-méthylènespiro[5.5]undécan-3-ol [French] [ACD/IUPAC Name]
Spiro[5.5]undecan-3-ol, 8-bromo-2-chloro-3,7,7-trimethyl-11-methylene-, (2S,3R,6S,8R)- [ACD/Index Name]
hurgadol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 191.0±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: 4.88
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2479.36
ACD/KOC (pH 5.5): 9359.75
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2479.36
ACD/KOC (pH 7.4): 9359.75
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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