ChemSpider 2D Image | (4R,4aR)-4-[2-(3-Furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone | C20H28O3

(4R,4aR)-4-[2-(3-Furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID26360709

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R,4aR)-4-[2-(3-Furyl)éthyl]-4-hydroxy-3,4a,8,8-tétraméthyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphtalénone [French] [ACD/IUPAC Name]
(4R,4aR)-4-[2-(3-Furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone [ACD/IUPAC Name]
(4R,4aR)-4-[2-(3-Furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalinon [German] [ACD/IUPAC Name]
1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl-, (4R,4aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.7±27.3 °C
Index of Refraction: 1.521
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 970.42
ACD/KOC (pH 5.5): 4782.61
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 970.41
ACD/KOC (pH 7.4): 4782.60
Polar Surface Area: 50 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 295.9±3.0 cm3

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