ChemSpider 2D Image | (3R)-7-methoxy-alpha-dunnione, (-)- | C16H18O4

(3R)-7-methoxy-α-dunnione, (-)-

  • Molecular FormulaC16H18O4
  • Average mass274.312 Da
  • Monoisotopic mass274.120514 Da
  • ChemSpider ID26387505

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-7-Methoxy-2,3,3-trimethyl-2,3,3a,9a-tetrahydronaphtho[2,3-b]furan-4,9-dion [German] [ACD/IUPAC Name]
(2R)-7-Methoxy-2,3,3-trimethyl-2,3,3a,9a-tetrahydronaphtho[2,3-b]furan-4,9-dione [ACD/IUPAC Name]
(2R)-7-Méthoxy-2,3,3-triméthyl-2,3,3a,9a-tétrahydronaphto[2,3-b]furane-4,9-dione [French] [ACD/IUPAC Name]
(3R)-7-methoxy-α-dunnione, (-)-
Naphtho[2,3-b]furan-4,9-dione, 2,3,3a,9a-tetrahydro-7-methoxy-2,3,3-trimethyl-, (2R)- [ACD/Index Name]
(-)-(2R)-7-methoxy-2,3,3-trimethyl-3a,9a-dihydro-2H-benzo[f][1]benzofuran-4,9-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 190.2±28.8 °C
Index of Refraction: 1.527
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.40
ACD/KOC (pH 5.5): 902.19
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.40
ACD/KOC (pH 7.4): 902.19
Polar Surface Area: 53 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 236.9±3.0 cm3

Click to predict properties on the Chemicalize site


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