ChemSpider 2D Image | (4R,6S)-6-{(E)-2-[2,4-Dichloro-6-(2-phenylethyl)phenyl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one | C21H20Cl2O3

(4R,6S)-6-{(E)-2-[2,4-Dichloro-6-(2-phenylethyl)phenyl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC21H20Cl2O3
  • Average mass391.288 Da
  • Monoisotopic mass390.078949 Da
  • ChemSpider ID30846592

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,6S)-6-{(E)-2-[2,4-Dichlor-6-(2-phenylethyl)phenyl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R,6S)-6-{(E)-2-[2,4-Dichloro-6-(2-phenylethyl)phenyl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R,6S)-6-{(E)-2-[2,4-Dichloro-6-(2-phényléthyl)phényl]vinyl}-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(E)-2-[2,4-dichloro-6-(2-phenylethyl)phenyl]ethenyl]tetrahydro-4-hydroxy-, (4R,6S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.3±30.1 °C
Index of Refraction: 1.673
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 864.45
ACD/KOC (pH 5.5): 4402.70
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 864.45
ACD/KOC (pH 7.4): 4402.69
Polar Surface Area: 47 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 286.5±3.0 cm3

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