ChemSpider 2D Image | {(4aR,5S,6R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyldecahydronaphthalene-1,6-diyl}dimethanol | C20H32O3

{(4aR,5S,6R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyldecahydronaphthalene-1,6-diyl}dimethanol

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID22871862
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

{(4aR,5S,6R)-5-[2-(3-Furyl)éthyl]-1,4a-diméthyldécahydronaphtalène-1,6-diyl}diméthanol [French] [ACD/IUPAC Name]
{(4aR,5S,6R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyldecahydronaphthalene-1,6-diyl}dimethanol [ACD/IUPAC Name]
{(4aR,5S,6R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyldecahydronaphthalin-1,6-diyl}dimethanol [German] [ACD/IUPAC Name]
1,6-Naphthalenedimethanol, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-, (4aR,5S,6R)- [ACD/Index Name]
[(1S,2R,5S,8aR)-1-[2-(furan-3-yl)ethyl]-5-(hydroxymethyl)-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
956923-94-7 [RN]
C20H32O3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 434.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.4±20.4 °C
Index of Refraction: 1.505
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1153.25
ACD/KOC (pH 5.5): 5411.58
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1153.25
ACD/KOC (pH 7.4): 5411.58
Polar Surface Area: 54 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

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