ChemSpider 2D Image | tert-Butyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxohept-6-enoate | C28H32FNO4

tert-Butyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxohept-6-enoate

  • Molecular FormulaC28H32FNO4
  • Average mass465.556 Da
  • Monoisotopic mass465.231537 Da
  • ChemSpider ID23359934

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-7-[3-(4-Fluorophényl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-hepténoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(6E)-7-[3-(4-fluorphenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3-hydroxy-5-oxo-, 1,1-dimethylethyl ester, (6E)- [ACD/Index Name]
tert-Butyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3-hydroxy-5-oxohept-6-enoate
(+)-(e)-7-(3-(4-fluorophenyl)-1-(1-methylethyl)indol-2-yl)-5- hydroxy-3-oxohept-6- enoic acid tert butyl ester
[375846-25-6] [RN]
375846-25-6 [RN]
6-HEPTENOIC ACID 7-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-5-HYDROXY-3-OXO- 1 1-DIMETHYLETHYL ESTER (6E)-
MFCD08458239
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 650.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 346.9±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: 5.84
    ACD/LogD (pH 5.5): 5.61
    ACD/BCF (pH 5.5): 10800.67
    ACD/KOC (pH 5.5): 26836.96
    ACD/LogD (pH 7.4): 5.61
    ACD/BCF (pH 7.4): 10800.66
    ACD/KOC (pH 7.4): 26836.93
    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

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