ChemSpider 2D Image | 2-Methyl-2-propanyl [(1S,5R,6R)-6-acetamido-3-iodo-5-(3-pentanyloxy)-3-cyclohexen-1-yl]carbamate | C18H31IN2O4

2-Methyl-2-propanyl [(1S,5R,6R)-6-acetamido-3-iodo-5-(3-pentanyloxy)-3-cyclohexen-1-yl]carbamate

  • Molecular FormulaC18H31IN2O4
  • Average mass466.354 Da
  • Monoisotopic mass466.132843 Da
  • ChemSpider ID30653381

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S,5R,6R)-6-Acétamido-3-iodo-5-(3-pentanyloxy)-3-cyclohexén-1-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1S,5R,6R)-6-acetamido-3-iodo-5-(3-pentanyloxy)-3-cyclohexen-1-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S,5R,6R)-6-acetamido-3-iod-5-(3-pentanyloxy)-3-cyclohexen-1-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,5R,6R)-6-(acetylamino)-5-(1-ethylpropoxy)-3-iodo-3-cyclohexen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 557.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.8±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 510.19
ACD/KOC (pH 5.5): 3018.55
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 510.06
ACD/KOC (pH 7.4): 3017.77
Polar Surface Area: 77 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 343.4±5.0 cm3

Click to predict properties on the Chemicalize site


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