ChemSpider 2D Image | 4-Methoxy-6-[(1S,2R,4aS,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-oxo-2H-pyran-3-carbaldehyde | C18H22O4

4-Methoxy-6-[(1S,2R,4aS,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-oxo-2H-pyran-3-carbaldehyde

  • Molecular FormulaC18H22O4
  • Average mass302.365 Da
  • Monoisotopic mass302.151794 Da
  • ChemSpider ID78439594

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Pyran-3-carboxaldehyde, 4-methoxy-6-[(1S,2R,4aS,8aS)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl]-2-oxo- [ACD/Index Name]
4-Méthoxy-6-[(1S,2R,4aS,8aS)-2-méthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-2-oxo-2H-pyrane-3-carbaldéhyde [French] [ACD/IUPAC Name]
4-Methoxy-6-[(1S,2R,4aS,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-oxo-2H-pyran-3-carbaldehyde [ACD/IUPAC Name]
4-Methoxy-6-[(1S,2R,4aS,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-2-oxo-2H-pyran-3-carbaldehyd [German] [ACD/IUPAC Name]
Solanopyrone 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: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 211.9±28.8 °C
Index of Refraction: 1.552
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.01
ACD/KOC (pH 5.5): 1711.98
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.01
ACD/KOC (pH 7.4): 1711.98
Polar Surface Area: 53 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 257.0±5.0 cm3

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