ChemSpider 2D Image | (6E,9E,12E)-15-Iodo-16-pentyloxacyclohexadeca-6,9,12-trien-2-one | C20H31IO2

(6E,9E,12E)-15-Iodo-16-pentyloxacyclohexadeca-6,9,12-trien-2-one

  • Molecular FormulaC20H31IO2
  • Average mass430.363 Da
  • Monoisotopic mass430.136871 Da
  • ChemSpider ID25996844
  • Double-bond stereo - Double-bond stereo


More details:






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

(6E,9E,12E)-15-Iod-16-pentyloxacyclohexadeca-6,9,12-trien-2-on [German] [ACD/IUPAC Name]
(6E,9E,12E)-15-Iodo-16-pentyloxacyclohexadeca-6,9,12-trien-2-one [ACD/IUPAC Name]
(6E,9E,12E)-15-Iodo-16-pentyloxacyclohexadéca-6,9,12-trién-2-one [French] [ACD/IUPAC Name]
Oxacyclohexadeca-6,9,12-trien-2-one, 15-iodo-16-pentyl-, (6E,9E,12E)- [ACD/Index Name]
(6Z,9Z,12Z)-15-iodo-16-pentyl-1-oxacyclohexadeca-6,9,12-trien-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 259.0±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 127663.63
ACD/KOC (pH 5.5): 157217.47
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 127663.63
ACD/KOC (pH 7.4): 157217.47
Polar Surface Area: 26 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 342.9±5.0 cm3

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