Found 18 results

Search term: MF = 'C_{22}H_{29}BrO_{2}'
ChemSpider 2D Image | (4aS,7R,12cS)-9-Bromo-10-methoxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan | C22H29BrO2

(4aS,7R,12cS)-9-Bromo-10-methoxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan

  • Molecular FormulaC22H29BrO2
  • Average mass405.368 Da
  • Monoisotopic mass404.135071 Da
  • ChemSpider ID26377307

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,7R,12cS)-9-Brom-10-methoxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan [German] [ACD/IUPAC Name]
(4aS,7R,12cS)-9-Bromo-10-methoxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan [ACD/IUPAC Name]
(4aS,7R,12cS)-9-Bromo-10-méthoxy-4,4,7,12c-tétraméthyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furane [French] [ACD/IUPAC Name]
1H-Benzo[b]benzo[6,7]cyclohepta[1,2-d]furan, 9-bromo-2,3,4,4a,5,6,7,12c-octahydro-10-methoxy-4,4,7,12c-tetramethyl-, (4aS,7R,12cS)- [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: 457.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 230.6±27.3 °C
Index of Refraction: 1.551
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 283643.03
ACD/KOC (pH 5.5): 278399.41
ACD/LogD (pH 7.4): 7.48
ACD/BCF (pH 7.4): 283643.03
ACD/KOC (pH 7.4): 278399.41
Polar Surface Area: 22 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


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