ChemSpider 2D Image | 4-{[(1R,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one | C24H30O4

4-{[(1R,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one

  • Molecular FormulaC24H30O4
  • Average mass382.493 Da
  • Monoisotopic mass382.214417 Da
  • ChemSpider ID25025939

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4-[[(1R,6R,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]- [ACD/Index Name]
4-{[(1R,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]methoxy}-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-{[(1R,6R,8aR)-6-Hydroxy-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]méthoxy}-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-{[(1R,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 181.8±23.6 °C
Index of Refraction: 1.581
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3619.01
ACD/KOC (pH 5.5): 12269.67
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3619.01
ACD/KOC (pH 7.4): 12269.67
Polar Surface Area: 56 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 324.7±5.0 cm3

Click to predict properties on the Chemicalize site


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