ChemSpider 2D Image | 6-[(3E,6E,9E)-1-Iodo-3,6,9-hexadecatrien-1-yl]tetrahydro-2H-pyran-2-one | C21H33IO2

6-[(3E,6E,9E)-1-Iodo-3,6,9-hexadecatrien-1-yl]tetrahydro-2H-pyran-2-one

  • Molecular FormulaC21H33IO2
  • Average mass444.390 Da
  • Monoisotopic mass444.152527 Da
  • ChemSpider ID57513197

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, tetrahydro-6-[(3E,6E,9E)-1-iodo-3,6,9-hexadecatrien-1-yl]- [ACD/Index Name]
6-[(3E,6E,9E)-1-Iod-3,6,9-hexadecatrien-1-yl]tetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(3E,6E,9E)-1-Iodo-3,6,9-hexadecatrien-1-yl]tetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
6-[(3E,6E,9E)-1-Iodo-3,6,9-hexadécatrién-1-yl]tétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
6-(1-IODOHEXADECA-3,6,9-TRIEN-1-YL)OXAN-2-ONE
6-(1-Iodohexadeca-3,6,9-trien-1-yl)tetrahydro-2H-pyran-2-one
92446-08-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 498.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.0±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 67985.69
ACD/KOC (pH 5.5): 100144.05
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67985.69
ACD/KOC (pH 7.4): 100144.05
Polar Surface Area: 26 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

Click to predict properties on the Chemicalize site


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