ChemSpider 2D Image | 1-[(1R,2R,3S,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-2-hydroxy-4-isopropenylcyclopentyl]ethanone | C21H30O4

1-[(1R,2R,3S,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-2-hydroxy-4-isopropenylcyclopentyl]ethanone

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID75573942

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(1R,2R,3S,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-2-hydroxy-4-isopropenylcyclopentyl]ethanon [German] [ACD/IUPAC Name]
1-[(1R,2R,3S,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-2-hydroxy-4-isopropenylcyclopentyl]ethanone [ACD/IUPAC Name]
1-[(1R,2R,3S,4R)-3-(2,6-Dihydroxy-4-pentylphényl)-2-hydroxy-4-isopropénylcyclopentyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1R,2R,3S,4R)-3-(2,6-dihydroxy-4-pentylphenyl)-2-hydroxy-4-(1-methylethenyl)cyclopentyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 288.4±26.6 °C
Index of Refraction: 1.560
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.89
ACD/KOC (pH 5.5): 2845.84
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 467.86
ACD/KOC (pH 7.4): 2833.55
Polar Surface Area: 78 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 305.9±3.0 cm3

Click to predict properties on the Chemicalize site


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