ChemSpider 2D Image | (4R,6S)-6-[(E)-2-(3',4'-Dichloro-3,5-dimethyl-2-biphenylyl)vinyl]-4-hydroxytetrahydro-2H-pyran-2-one | C21H20Cl2O3

(4R,6S)-6-[(E)-2-(3',4'-Dichloro-3,5-dimethyl-2-biphenylyl)vinyl]-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC21H20Cl2O3
  • Average mass391.288 Da
  • Monoisotopic mass390.078949 Da
  • ChemSpider ID30809225

  • 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-(3',4'-Dichlor-3,5-dimethyl-2-biphenylyl)vinyl]-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R,6S)-6-[(E)-2-(3',4'-Dichloro-3,5-dimethyl-2-biphenylyl)vinyl]-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R,6S)-6-[(E)-2-(3',4'-Dichloro-3,5-diméthyl-2-biphénylyl)vinyl]-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(E)-2-(3',4'-dichloro-3,5-dimethyl[1,1'-biphenyl]-2-yl)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: 1.3±0.1 g/cm3
Boiling Point: 573.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.7±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1129.11
ACD/KOC (pH 5.5): 5330.26
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1129.11
ACD/KOC (pH 7.4): 5330.25
Polar Surface Area: 47 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 290.8±3.0 cm3

Click to predict properties on the Chemicalize site


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