ChemSpider 2D Image | (2R,7R,9S)-2-Isopropyl-9-methoxy-7-methyl-6,9-dihydro-7H-furo[3,2-h]isochromen-3(2H)-one | C16H20O4

(2R,7R,9S)-2-Isopropyl-9-methoxy-7-methyl-6,9-dihydro-7H-furo[3,2-h]isochromen-3(2H)-one

  • Molecular FormulaC16H20O4
  • Average mass276.328 Da
  • Monoisotopic mass276.136169 Da
  • ChemSpider ID30820989
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,7R,9S)-2-Isopropyl-9-methoxy-7-methyl-6,9-dihydro-7H-furo[3,2-h]isochromen-3(2H)-on [German] [ACD/IUPAC Name]
(2R,7R,9S)-2-Isopropyl-9-methoxy-7-methyl-6,9-dihydro-7H-furo[3,2-h]isochromen-3(2H)-one [ACD/IUPAC Name]
(2R,7R,9S)-2-Isopropyl-9-méthoxy-7-méthyl-6,9-dihydro-7H-furo[3,2-h]isochromén-3(2H)-one [French] [ACD/IUPAC Name]
7H-Furo[3,2-h][2]benzopyran-3(2H)-one, 6,9-dihydro-9-methoxy-7-methyl-2-(1-methylethyl)-, (2R,7R,9S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 398.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 175.9±27.9 °C
Index of Refraction: 1.549
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.32
ACD/KOC (pH 5.5): 677.89
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.32
ACD/KOC (pH 7.4): 677.89
Polar Surface Area: 45 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 233.2±5.0 cm3

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