ChemSpider 2D Image | 5H-pyrano[2,3-b]quinolin-5-one, 2,3,4,10-tetrahydro-3-hydroxy-2,2,10-trimethyl-9-[(3-methyl-2-buten-1-yl)oxy]-, (3R)- | C20H25NO4

5H-pyrano[2,3-b]quinolin-5-one, 2,3,4,10-tetrahydro-3-hydroxy-2,2,10-trimethyl-9-[(3-methyl-2-buten-1-yl)oxy]-, (3R)-

  • Molecular FormulaC20H25NO4
  • Average mass343.417 Da
  • Monoisotopic mass343.178345 Da
  • ChemSpider ID21431209

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5H-pyrano[2,3-b]quinolin-5-one, 2,3,4,10-tetrahydro-3-hydroxy-2,2,10-trimethyl-9-[(3-methyl-2-buten-1-yl)oxy]-, (3R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 493.9±45.0 °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: 252.5±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.63
ACD/KOC (pH 5.5): 1401.22
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.62
ACD/KOC (pH 7.4): 1401.22
Polar Surface Area: 59 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 281.0±5.0 cm3

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