Found 1 result

Search term: LSCWHIBYDGDOLC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2S,3R,6S)-6-[(1E,3E,5E)-1,3,5-Decatrien-1-yl]-2-methyl-3-piperidinol | C16H27NO

(2S,3R,6S)-6-[(1E,3E,5E)-1,3,5-Decatrien-1-yl]-2-methyl-3-piperidinol

  • Molecular FormulaC16H27NO
  • Average mass249.392 Da
  • Monoisotopic mass249.209259 Da
  • ChemSpider ID29417574
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,3R,6S)-6-[(1E,3E,5E)-1,3,5-Decatrien-1-yl]-2-methyl-3-piperidinol [German] [ACD/IUPAC Name]
(2S,3R,6S)-6-[(1E,3E,5E)-1,3,5-Decatrien-1-yl]-2-methyl-3-piperidinol [ACD/IUPAC Name]
(2S,3R,6S)-6-[(1E,3E,5E)-1,3,5-Décatrién-1-yl]-2-méthyl-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 6-[(1E,3E,5E)-1,3,5-decatrien-1-yl]-2-methyl-, (2S,3R,6S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 381.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.8±6.0 kJ/mol
Flash Point: 84.5±18.5 °C
Index of Refraction: 1.540
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 17.73
ACD/KOC (pH 7.4): 104.78
Polar Surface Area: 32 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 258.1±3.0 cm3

Click to predict properties on the Chemicalize site






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