Found 2 results

Search term: KNDQZHFTKYJGCP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3R,4aR,5R,8aS)-2-Methyl-5-[(1E,3E)-1,3-octadien-1-yl]decahydro-3-quinolinol | C18H31NO

(2R,3R,4aR,5R,8aS)-2-Methyl-5-[(1E,3E)-1,3-octadien-1-yl]decahydro-3-quinolinol

  • Molecular FormulaC18H31NO
  • Average mass277.445 Da
  • Monoisotopic mass277.240570 Da
  • ChemSpider ID77409215

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4aR,5R,8aS)-2-Methyl-5-[(1E,3E)-1,3-octadien-1-yl]decahydro-3-chinolinol [German] [ACD/IUPAC Name]
(2R,3R,4aR,5R,8aS)-2-Méthyl-5-[(1E,3E)-1,3-octadién-1-yl]décahydro-3-quinoléinol [French] [ACD/IUPAC Name]
(2R,3R,4aR,5R,8aS)-2-Methyl-5-[(1E,3E)-1,3-octadien-1-yl]decahydro-3-quinolinol [ACD/IUPAC Name]
3-Quinolinol, decahydro-2-methyl-5-[(1E,3E)-1,3-octadien-1-yl]-, (2R,3R,4aR,5R,8aS)- [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: 404.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.8±6.0 kJ/mol
Flash Point: 74.9±17.4 °C
Index of Refraction: 1.534
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 5.97
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 9.04
ACD/KOC (pH 7.4): 38.31
Polar Surface Area: 32 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


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