ChemSpider 2D Image | (4R)-6-({2-[Chloro(cyclohexyl)methyl]-4,6-dimethylphenoxy}methyl)-4-hydroxytetrahydro-2H-pyran-2-one | C21H29ClO4

(4R)-6-({2-[Chloro(cyclohexyl)methyl]-4,6-dimethylphenoxy}methyl)-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC21H29ClO4
  • Average mass380.906 Da
  • Monoisotopic mass380.175446 Da
  • ChemSpider ID23187579

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(4R)-6-({2-[Chlor(cyclohexyl)methyl]-4,6-dimethylphenoxy}methyl)-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R)-6-({2-[Chloro(cyclohexyl)methyl]-4,6-dimethylphenoxy}methyl)-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R)-6-({2-[Chloro(cyclohexyl)méthyl]-4,6-diméthylphénoxy}méthyl)-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
6-[2-(Chloro-cyclohexyl-methyl)-4,6-dimethyl-phenoxymethyl]-4-hydroxy-tetrahydro-pyran-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 454.92
ACD/KOC (pH 5.5): 2780.68
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 454.92
ACD/KOC (pH 7.4): 2780.68
Polar Surface Area: 56 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

Click to predict properties on the Chemicalize site


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