ChemSpider 2D Image | (5S)-5-(1-Allyl-1H-indol-3-yl)-3-(4-~2~H_1_)hexanone | C17H20DNO

(5S)-5-(1-Allyl-1H-indol-3-yl)-3-(4-2H1)hexanone

  • Molecular FormulaC17H20DNO
  • Average mass256.361 Da
  • Monoisotopic mass256.168579 Da
  • ChemSpider ID77407687

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5S)-5-(1-Allyl-1H-indol-3-yl)-3-(4-2H1)hexanon [German] [ACD/IUPAC Name]
(5S)-5-(1-Allyl-1H-indol-3-yl)-3-(4-2H1)hexanone [ACD/IUPAC Name]
(5S)-5-(1-Allyl-1H-indol-3-yl)-3-(4-2H1)hexanone [French] [ACD/IUPAC Name]
3-Hexanone-4-d, 5-[1-(2-propen-1-yl)-1H-indol-3-yl]-, (5S)- [ACD/Index 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: 387.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 187.9±24.6 °C
Index of Refraction: 1.541
Molar Refractivity: 80.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1022.61
ACD/KOC (pH 5.5): 4965.37
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1022.61
ACD/KOC (pH 7.4): 4965.37
Polar Surface Area: 22 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 34.7±7.0 dyne/cm
Molar Volume: 254.7±7.0 cm3

Click to predict properties on the Chemicalize site


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