ChemSpider 2D Image | 6-{6-[(1E,3R,5Z)-3-Hydroxy-1,5-undecadien-1-yl]-2-pyridinyl}-1,5-hexanediol | C22H35NO3

6-{6-[(1E,3R,5Z)-3-Hydroxy-1,5-undecadien-1-yl]-2-pyridinyl}-1,5-hexanediol

  • Molecular FormulaC22H35NO3
  • Average mass361.518 Da
  • Monoisotopic mass361.261688 Da
  • ChemSpider ID21467371
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1,5-Hexanediol, 6-[6-[(1E,3R,5Z)-3-hydroxy-1,5-undecadien-1-yl]-2-pyridinyl]- [ACD/Index Name]
6-{6-[(1E,3R,5Z)-3-Hydroxy-1,5-undecadien-1-yl]-2-pyridinyl}-1,5-hexandiol [German] [ACD/IUPAC Name]
6-{6-[(1E,3R,5Z)-3-Hydroxy-1,5-undecadien-1-yl]-2-pyridinyl}-1,5-hexanediol [ACD/IUPAC Name]
6-{6-[(1E,3R,5Z)-3-Hydroxy-1,5-undécadién-1-yl]-2-pyridinyl}-1,5-hexanediol [French] [ACD/IUPAC Name]

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

U-75302 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.8±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 195.55
ACD/KOC (pH 5.5): 1438.02
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.76
ACD/KOC (pH 7.4): 1741.01
Polar Surface Area: 74 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 341.4±3.0 cm3

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