ChemSpider 2D Image | (1R,2S,4R,7R)-2-(Benzyloxy)-7-(bromomethyl)-1,2,7-trimethylbicyclo[2.2.1]heptane | C18H25BrO

(1R,2S,4R,7R)-2-(Benzyloxy)-7-(bromomethyl)-1,2,7-trimethylbicyclo[2.2.1]heptane

  • Molecular FormulaC18H25BrO
  • Average mass337.294 Da
  • Monoisotopic mass336.108856 Da
  • ChemSpider ID21178816

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,4R,7R)-2-(Benzyloxy)-7-(brommethyl)-1,2,7-trimethylbicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(1R,2S,4R,7R)-2-(Benzyloxy)-7-(bromomethyl)-1,2,7-trimethylbicyclo[2.2.1]heptane [ACD/IUPAC Name]
(1R,2S,4R,7R)-2-(Benzyloxy)-7-(bromométhyl)-1,2,7-triméthylbicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane, 7-(bromomethyl)-1,2,7-trimethyl-2-(phenylmethoxy)-, (1R,2S,4R,7R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 145.0±21.5 °C
Index of Refraction: 1.562
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 11971.30
ACD/KOC (pH 5.5): 28888.30
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 11971.30
ACD/KOC (pH 7.4): 28888.30
Polar Surface Area: 9 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 270.6±5.0 cm3

Click to predict properties on the Chemicalize site


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