ChemSpider 2D Image | (3R,3aR,8bR)-7-Bromo-3,3a,6,8b-tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan | C15H19BrO

(3R,3aR,8bR)-7-Bromo-3,3a,6,8b-tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan

  • Molecular FormulaC15H19BrO
  • Average mass295.215 Da
  • Monoisotopic mass294.061920 Da
  • ChemSpider ID30805389

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3aR,8bR)-7-Brom-3,3a,6,8b-tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan [German] [ACD/IUPAC Name]
(3R,3aR,8bR)-7-Bromo-3,3a,6,8b-tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan [ACD/IUPAC Name]
(3R,3aR,8bR)-7-Bromo-3,3a,6,8b-tétraméthyl-2,3,3a,8b-tétrahydro-1H-benzo[b]cyclopenta[d]furane [French] [ACD/IUPAC Name]
1H-Benzo[b]cyclopenta[d]furan, 7-bromo-2,3,3a,8b-tetrahydro-3,3a,6,8b-tetramethyl-, (3R,3aR,8bR)- [ACD/Index Name]
(2R,5R,6R)-11-bromo-2,5,6,10-tetramethyl-7-oxatricyclo[6.4.0.02,?]dodeca-1(12),8,10-triene
21019-64-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 335.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 131.7±29.0 °C
Index of Refraction: 1.567
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16502.54
ACD/KOC (pH 5.5): 36350.44
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16502.54
ACD/KOC (pH 7.4): 36350.44
Polar Surface Area: 9 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 225.8±3.0 cm3

Click to predict properties on the Chemicalize site


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