ChemSpider 2D Image | Methyl (2Z,4S)-4-(1,2,5-trimethyl-1H-indol-3-yl)-2-pentenoate | C17H21NO2

Methyl (2Z,4S)-4-(1,2,5-trimethyl-1H-indol-3-yl)-2-pentenoate

  • Molecular FormulaC17H21NO2
  • Average mass271.354 Da
  • Monoisotopic mass271.157227 Da
  • ChemSpider ID30651861

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,4S)-4-(1,2,5-Triméthyl-1H-indol-3-yl)-2-penténoate de méthyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 4-(1,2,5-trimethyl-1H-indol-3-yl)-, methyl ester, (2Z,4S)- [ACD/Index Name]
Methyl (2Z,4S)-4-(1,2,5-trimethyl-1H-indol-3-yl)-2-pentenoate [ACD/IUPAC Name]
Methyl-(2Z,4S)-4-(1,2,5-trimethyl-1H-indol-3-yl)-2-pentenoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 415.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.1±25.4 °C
Index of Refraction: 1.537
Molar Refractivity: 81.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1599.77
ACD/KOC (pH 5.5): 6840.09
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1599.77
ACD/KOC (pH 7.4): 6840.09
Polar Surface Area: 31 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 33.1±7.0 dyne/cm
Molar Volume: 259.5±7.0 cm3

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