ChemSpider 2D Image | 1-{[(2R,4R,6S)-4-Bromo-6-(2-phenylethyl)tetrahydro-2H-pyran-2-yl]methyl}cyclohexanol | C20H29BrO2

1-{[(2R,4R,6S)-4-Bromo-6-(2-phenylethyl)tetrahydro-2H-pyran-2-yl]methyl}cyclohexanol

  • Molecular FormulaC20H29BrO2
  • Average mass381.347 Da
  • Monoisotopic mass380.135071 Da
  • ChemSpider ID74051234

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{[(2R,4R,6S)-4-Brom-6-(2-phenylethyl)tetrahydro-2H-pyran-2-yl]methyl}cyclohexanol [German] [ACD/IUPAC Name]
1-{[(2R,4R,6S)-4-Bromo-6-(2-phenylethyl)tetrahydro-2H-pyran-2-yl]methyl}cyclohexanol [ACD/IUPAC Name]
1-{[(2R,4R,6S)-4-Bromo-6-(2-phényléthyl)tétrahydro-2H-pyran-2-yl]méthyl}cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 1-[[(2R,4R,6S)-4-bromotetrahydro-6-(2-phenylethyl)-2H-pyran-2-yl]methyl]- [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: 477.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±24.6 °C
Index of Refraction: 1.555
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4393.85
ACD/KOC (pH 5.5): 14097.49
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4393.85
ACD/KOC (pH 7.4): 14097.49
Polar Surface Area: 29 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 305.6±3.0 cm3

Click to predict properties on the Chemicalize site


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