ChemSpider 2D Image | taiwaniaquinone H | C20H26O3

taiwaniaquinone H

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID24666150

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4bS)-2-Isopropyl-3-methoxy-4b,8,8-trimethyl-5,6,7,8-tetrahydro-1H-fluoren-1,4(4bH)-dion [German] [ACD/IUPAC Name]
(4bS)-2-Isopropyl-3-methoxy-4b,8,8-trimethyl-5,6,7,8-tetrahydro-1H-fluorene-1,4(4bH)-dione [ACD/IUPAC Name]
(4bS)-2-Isopropyl-3-méthoxy-4b,8,8-triméthyl-5,6,7,8-tétrahydro-1H-fluorène-1,4(4bH)-dione [French] [ACD/IUPAC Name]
1H-Fluorene-1,4(4bH)-dione, 5,6,7,8-tetrahydro-3-methoxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS)- [ACD/Index Name]
taiwaniaquinone H
()-taiwaniaquinone H

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

Density: 1.1±0.1 g/cm3
Boiling Point: 446.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 194.7±28.5 °C
Index of Refraction: 1.545
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5219.69
ACD/KOC (pH 5.5): 15947.13
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5219.69
ACD/KOC (pH 7.4): 15947.13
Polar Surface Area: 43 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 281.9±5.0 cm3

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