ChemSpider 2D Image | TAIWANIAQUINOL A | C21H28O4

TAIWANIAQUINOL A

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID24665403

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,6aS,10aS)-5-Hydroxy-4-isopropyl-7,7,10a-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-fluoreno[3,4-d][1,3]dioxol-6-carbaldehyd [German] [ACD/IUPAC Name]
(6R,6aS,10aS)-5-Hydroxy-4-isopropyl-7,7,10a-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-fluoreno[3,4-d][1,3]dioxole-6-carbaldehyde [ACD/IUPAC Name]
(6R,6aS,10aS)-5-Hydroxy-4-isopropyl-7,7,10a-triméthyl-6a,7,8,9,10,10a-hexahydro-6H-fluoréno[3,4-d][1,3]dioxole-6-carbaldéhyde [French] [ACD/IUPAC Name]
6H-Fluoreno[3,4-d]-1,3-dioxole-6-carboxaldehyde, 6a,7,8,9,10,10a-hexahydro-5-hydroxy-7,7,10a-trimethyl-4-(1-methylethyl)-, (6R,6aS,10aS)- [ACD/Index Name]
TAIWANIAQUINOL A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 140.6±22.2 °C
Index of Refraction: 1.589
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7739.82
ACD/KOC (pH 5.5): 21141.91
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7738.20
ACD/KOC (pH 7.4): 21137.48
Polar Surface Area: 56 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

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