ChemSpider 2D Image | (1S,2R,3R,3'R,4R,4'R)-3'-Bromo-4'-chloro-1,3,4,4'-tetramethyl-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane] | C15H24BrClO

(1S,2R,3R,3'R,4R,4'R)-3'-Bromo-4'-chloro-1,3,4,4'-tetramethyl-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane]

  • Molecular FormulaC15H24BrClO
  • Average mass335.707 Da
  • Monoisotopic mass334.069885 Da
  • ChemSpider ID24717186

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3R,3'R,4R,4'R)-3'-Bromo-4'-chloro-1,3,4,4'-tetramethyl-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane] [ACD/IUPAC Name]
Spiro[cyclohexane-1,2'-[7]oxabicyclo[2.2.1]heptane], 3-bromo-4-chloro-1',3',4,4'-tetramethyl-, (1R,1'S,3R,3'R,4R,4'R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515800/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 360.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 171.5±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2979.24
ACD/KOC (pH 5.5): 10674.80
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2979.24
ACD/KOC (pH 7.4): 10674.80
Polar Surface Area: 9 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 253.6±5.0 cm3

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