Found 2 results

Search term: ZGUGMAZHVHIKQT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,9S)-4-Bromo-1,5,9-trimethyl-12-methylene-8-oxatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-triene | C15H17BrO

(1R,9S)-4-Bromo-1,5,9-trimethyl-12-methylene-8-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

  • Molecular FormulaC15H17BrO
  • Average mass293.199 Da
  • Monoisotopic mass292.046265 Da
  • ChemSpider ID24711407

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,9S)-4-Brom-1,5,9-trimethyl-12-methylen-8-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]
(1R,9S)-4-Bromo-1,5,9-trimethyl-12-methylene-8-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
(1R,9S)-4-Bromo-1,5,9-triméthyl-12-méthylène-8-oxatricyclo[7.2.1.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
2,5-Methano-1-benzoxepin, 7-bromo-2,3,4,5-tetrahydro-2,5,8-trimethyl-10-methylene-, (2S,5R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504286/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 343.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 134.8±29.0 °C
Index of Refraction: 1.600
Molar Refractivity: 73.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5219.92
ACD/KOC (pH 5.5): 15947.64
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5219.92
ACD/KOC (pH 7.4): 15947.64
Polar Surface Area: 9 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 214.5±5.0 cm3

Click to predict properties on the Chemicalize site


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