ChemSpider 2D Image | compositacin A | C15H24BrClO

compositacin A

  • Molecular FormulaC15H24BrClO
  • Average mass335.707 Da
  • Monoisotopic mass334.069885 Da
  • ChemSpider ID62343774

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,6S,8S,9S)-8-Brom-9-chlor-1,2,5,9-tetramethylspiro[5.5]undec-4-en-1-ol [German] [ACD/IUPAC Name]
(1R,2R,6S,8S,9S)-8-Bromo-9-chloro-1,2,5,9-tetramethylspiro[5.5]undec-4-en-1-ol [ACD/IUPAC Name]
(1R,2R,6S,8S,9S)-8-Bromo-9-chloro-1,2,5,9-tétraméthylspiro[5.5]undéc-4-én-1-ol [French] [ACD/IUPAC Name]
compositacin A
Spiro[5.5]undec-4-en-1-ol, 8-bromo-9-chloro-1,2,5,9-tetramethyl-, (1R,2R,6S,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: 388.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.7±6.0 kJ/mol
Flash Point: 188.7±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5764.75
ACD/KOC (pH 5.5): 17122.16
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5764.75
ACD/KOC (pH 7.4): 17122.16
Polar Surface Area: 20 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 256.4±5.0 cm3

Click to predict properties on the Chemicalize site


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