ChemSpider 2D Image | 7-{[(1R,2S,4aS,6R,8aR)-2,6-Dihydroxy-2,5,5,8a-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one | C24H30O5

7-{[(1R,2S,4aS,6R,8aR)-2,6-Dihydroxy-2,5,5,8a-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one

  • Molecular FormulaC24H30O5
  • Average mass398.492 Da
  • Monoisotopic mass398.209320 Da
  • ChemSpider ID26390255

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-[[(1R,2S,4aS,6R,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2,6-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]methoxy]- [ACD/Index Name]
7-{[(1R,2S,4aS,6R,8aR)-2,6-Dihydroxy-2,5,5,8a-tétraméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]méthoxy}-2H-chromén-2-one [French] [ACD/IUPAC Name]
7-{[(1R,2S,4aS,6R,8aR)-2,6-Dihydroxy-2,5,5,8a-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one [ACD/IUPAC Name]
7-{[(1R,2S,4aS,6R,8aR)-2,6-Dihydroxy-2,5,5,8a-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]methoxy}-2H-chromen-2-on [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 191.5±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 425.73
ACD/KOC (pH 5.5): 2651.78
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 425.73
ACD/KOC (pH 7.4): 2651.78
Polar Surface Area: 76 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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