ChemSpider 2D Image | 2-Methyl-2-propanyl [(4S,5E,7S)-7-benzyl-8-hydroxy-2,5-dimethyl-5-octen-4-yl]carbamate | C22H35NO3

2-Methyl-2-propanyl [(4S,5E,7S)-7-benzyl-8-hydroxy-2,5-dimethyl-5-octen-4-yl]carbamate

  • Molecular FormulaC22H35NO3
  • Average mass361.518 Da
  • Monoisotopic mass361.261688 Da
  • ChemSpider ID30659884

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4S,5E,7S)-7-Benzyl-8-hydroxy-2,5-diméthyl-5-octén-4-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(4S,5E,7S)-7-benzyl-8-hydroxy-2,5-dimethyl-5-octen-4-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(4S,5E,7S)-7-benzyl-8-hydroxy-2,5-dimethyl-5-octen-4-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2E,4S)-5-hydroxy-2-methyl-1-(2-methylpropyl)-4-(phenylmethyl)-2-penten-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: 1.0±0.1 g/cm3
Boiling Point: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3183.02
ACD/KOC (pH 5.5): 11192.52
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3182.98
ACD/KOC (pH 7.4): 11192.37
Polar Surface Area: 59 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

Click to predict properties on the Chemicalize site


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