ChemSpider 2D Image | Isopropyl 7-[(1R,2R,3R)-5-oxo-2-(3-oxodecyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate | C30H52O6

Isopropyl 7-[(1R,2R,3R)-5-oxo-2-(3-oxodecyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID9715510
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

7-[(1R,2R,3R)-5-Oxo-2-(3-oxodécyl)-3-(tétrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 7-[(1R,2R,3R)-5-oxo-2-(3-oxodecyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate [ACD/IUPAC Name]
Isopropyl-7-[(1R,2R,3R)-5-oxo-2-(3-oxodecyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 596.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 246.7±30.2 °C
Index of Refraction: 1.489
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23491.96
ACD/KOC (pH 5.5): 46804.71
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23491.96
ACD/KOC (pH 7.4): 46804.71
Polar Surface Area: 79 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 493.3±5.0 cm3

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