ChemSpider 2D Image | 3-(6-sec-Butyl-3,5-dimethyltetrahydro-2H-pyran-2-yl)-1,4-dihydroxy-5-phenyl-2(1H)-pyridinone | C22H29NO4

3-(6-sec-Butyl-3,5-dimethyltetrahydro-2H-pyran-2-yl)-1,4-dihydroxy-5-phenyl-2(1H)-pyridinone

  • Molecular FormulaC22H29NO4
  • Average mass371.470 Da
  • Monoisotopic mass371.209656 Da
  • ChemSpider ID25042989

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2(1H)-Pyridinone, 1,4-dihydroxy-5-phenyl-3-[tetrahydro-3,5-dimethyl-6-(1-methylpropyl)-2H-pyran-2-yl]- [ACD/Index Name]
3-(6-sec-Butyl-3,5-dimethyltetrahydro-2H-pyran-2-yl)-1,4-dihydroxy-5-phenyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
3-(6-sec-Butyl-3,5-dimethyltetrahydro-2H-pyran-2-yl)-1,4-dihydroxy-5-phenyl-2(1H)-pyridinone [ACD/IUPAC Name]
3-(6-sec-Butyl-3,5-diméthyltétrahydro-2H-pyran-2-yl)-1,4-dihydroxy-5-phényl-2(1H)-pyridinone [French] [ACD/IUPAC 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: 494.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.7±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 75.17
ACD/KOC (pH 5.5): 336.89
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 312.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement