ChemSpider 2D Image | 2-Methyl-2-propanyl (5S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate | C28H32FNO4

2-Methyl-2-propanyl (5S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate

  • Molecular FormulaC28H32FNO4
  • Average mass465.556 Da
  • Monoisotopic mass465.231537 Da
  • ChemSpider ID103867554

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S,6E)-7-[3-(4-Fluorophényl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-hepténoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (5S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(5S,6E)-7-[3-(4-fluorphenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (5S,6E)- [ACD/Index Name]
(S,E)-tert-Butyl 7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-5-hydroxy-3-oxohept-6-enoate
194934-95-7 [RN]
MFCD09030595 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.5±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10159.64
ACD/KOC (pH 5.5): 25686.82
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10144.44
ACD/KOC (pH 7.4): 25648.38
Polar Surface Area: 69 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 410.4±7.0 cm3

Click to predict properties on the Chemicalize site


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