ChemSpider 2D Image | Methyl [(2S,3S)-3-iodo-1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl]carbamate | C12H18INO2

Methyl [(2S,3S)-3-iodo-1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl]carbamate

  • Molecular FormulaC12H18INO2
  • Average mass335.181 Da
  • Monoisotopic mass335.038208 Da
  • ChemSpider ID62998971

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,3S)-3-Iodo-1,2,3,4,5,6,7,8-octahydro-2-naphtalényl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2S,3S)-1,2,3,4,5,6,7,8-octahydro-3-iodo-2-naphthalenyl]-, methyl ester [ACD/Index Name]
Methyl [(2S,3S)-3-iodo-1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl]carbamate [ACD/IUPAC Name]
Methyl-[(2S,3S)-3-iod-1,2,3,4,5,6,7,8-octahydro-2-naphthalinyl]carbamat [German] [ACD/IUPAC Name]
20646-94-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 413.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.6±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 323.13
ACD/KOC (pH 5.5): 2176.80
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 323.10
ACD/KOC (pH 7.4): 2176.55
Polar Surface Area: 38 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 214.6±5.0 cm3

Click to predict properties on the Chemicalize site


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