ChemSpider 2D Image | {2-[(2S,3R,5R,6S)-5-(2,4-Dimethylphenyl)-3-isopropenyl-6-methyltetrahydro-2H-pyran-2-yl]-4-phenoxyphenoxy}acetic acid | C31H34O5

{2-[(2S,3R,5R,6S)-5-(2,4-Dimethylphenyl)-3-isopropenyl-6-methyltetrahydro-2H-pyran-2-yl]-4-phenoxyphenoxy}acetic acid

  • Molecular FormulaC31H34O5
  • Average mass486.599 Da
  • Monoisotopic mass486.240631 Da
  • ChemSpider ID113604462

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{2-[(2S,3R,5R,6S)-5-(2,4-Dimethylphenyl)-3-isopropenyl-6-methyltetrahydro-2H-pyran-2-yl]-4-phenoxyphenoxy}acetic acid [ACD/IUPAC Name]
{2-[(2S,3R,5R,6S)-5-(2,4-Dimethylphenyl)-3-isopropenyl-6-methyltetrahydro-2H-pyran-2-yl]-4-phenoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[2-[(2S,3R,5R,6S)-5-(2,4-dimethylphenyl)tetrahydro-6-methyl-3-(1-methylethenyl)-2H-pyran-2-yl]-4-phenoxyphenoxy]- [ACD/Index Name]
Acide {2-[(2S,3R,5R,6S)-5-(2,4-diméthylphényl)-3-isopropényl-6-méthyltétrahydro-2H-pyran-2-yl]-4-phénoxyphénoxy}acétique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 204.8±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 412.66
ACD/KOC (pH 5.5): 570.73
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 20.12
ACD/KOC (pH 7.4): 27.83
Polar Surface Area: 65 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 429.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement