ChemSpider 2D Image | 1-({[(4S,6S,8S)-9-Iodo-6-methoxy-8-methyl-4-nonanyl]oxy}methyl)-4-methoxybenzene | C19H31IO3

1-({[(4S,6S,8S)-9-Iodo-6-methoxy-8-methyl-4-nonanyl]oxy}methyl)-4-methoxybenzene

  • Molecular FormulaC19H31IO3
  • Average mass434.352 Da
  • Monoisotopic mass434.131775 Da
  • ChemSpider ID74104070

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-({[(4S,6S,8S)-9-Iod-6-methoxy-8-methyl-4-nonanyl]oxy}methyl)-4-methoxybenzol [German] [ACD/IUPAC Name]
1-({[(4S,6S,8S)-9-Iodo-6-methoxy-8-methyl-4-nonanyl]oxy}methyl)-4-methoxybenzene [ACD/IUPAC Name]
1-({[(4S,6S,8S)-9-Iodo-6-méthoxy-8-méthyl-4-nonanyl]oxy}méthyl)-4-méthoxybenzène [French] [ACD/IUPAC Name]
Benzene, 1-[[[(1S,3S,5S)-6-iodo-3-methoxy-5-methyl-1-propylhexyl]oxy]methyl]-4-methoxy- [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: 444.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 222.6±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13009.70
ACD/KOC (pH 5.5): 30660.61
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13009.70
ACD/KOC (pH 7.4): 30660.61
Polar Surface Area: 28 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 344.0±3.0 cm3

Click to predict properties on the Chemicalize site


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