ChemSpider 2D Image | 2-[(3E,6E,9E)-1-Iodo-3,6,9-hexadecatrien-1-yl]-3,4-dihydro-2H-pyran-6-ol | C21H33IO2

2-[(3E,6E,9E)-1-Iodo-3,6,9-hexadecatrien-1-yl]-3,4-dihydro-2H-pyran-6-ol

  • Molecular FormulaC21H33IO2
  • Average mass444.390 Da
  • Monoisotopic mass444.152527 Da
  • ChemSpider ID95546607

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E,6E,9E)-1-Iod-3,6,9-hexadecatrien-1-yl]-3,4-dihydro-2H-pyran-6-ol [German] [ACD/IUPAC Name]
2-[(3E,6E,9E)-1-Iodo-3,6,9-hexadecatrien-1-yl]-3,4-dihydro-2H-pyran-6-ol [ACD/IUPAC Name]
2-[(3E,6E,9E)-1-Iodo-3,6,9-hexadécatrién-1-yl]-3,4-dihydro-2H-pyran-6-ol [French] [ACD/IUPAC Name]
2H-Pyran-6-ol, 3,4-dihydro-2-[(3E,6E,9E)-1-iodo-3,6,9-hexadecatrien-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 251.4±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89463.98
ACD/KOC (pH 5.5): 121889.85
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89353.55
ACD/KOC (pH 7.4): 121739.38
Polar Surface Area: 29 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 352.1±3.0 cm3

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