ChemSpider 2D Image | 3-Hydroxy-1-[(1S,2R,4aS,6R,8aS)-2-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-1-propanone | C16H26O4

3-Hydroxy-1-[(1S,2R,4aS,6R,8aS)-2-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-1-propanone

  • Molecular FormulaC16H26O4
  • Average mass282.375 Da
  • Monoisotopic mass282.183105 Da
  • ChemSpider ID40256679

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 3-hydroxy-1-[(1S,2R,4aS,6R,8aS)-1,2,4a,5,6,7,8,8a-octahydro-2-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-1-naphthalenyl]- [ACD/Index Name]
3-Hydroxy-1-[(1S,2R,4aS,6R,8aS)-2-hydroxy-6-(hydroxyméthyl)-1,2-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-1-propanone [French] [ACD/IUPAC Name]
3-Hydroxy-1-[(1S,2R,4aS,6R,8aS)-2-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-1-propanone [ACD/IUPAC Name]
3-Hydroxy-1-[(1S,2R,4aS,6R,8aS)-2-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-1-propanon [German] [ACD/IUPAC Name]
Peaurantiogriseol F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 242.8±25.2 °C
Index of Refraction: 1.523
Molar Refractivity: 76.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 76.20
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 76.20
Polar Surface Area: 78 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

Click to predict properties on the Chemicalize site


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