ChemSpider 2D Image | 2-Methyl-2-propanyl [(Z)-{(2R)-2-[(R)-(4-bromophenyl)(hydroxy)methyl]cyclohexylidene}methyl](4-methoxyphenyl)carbamate | C26H32BrNO4

2-Methyl-2-propanyl [(Z)-{(2R)-2-[(R)-(4-bromophenyl)(hydroxy)methyl]cyclohexylidene}methyl](4-methoxyphenyl)carbamate

  • Molecular FormulaC26H32BrNO4
  • Average mass502.441 Da
  • Monoisotopic mass501.151459 Da
  • ChemSpider ID9435613

  • 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

[(Z)-{(2R)-2-[(R)-(4-Bromophényl)(hydroxy)méthyl]cyclohexylidène}méthyl](4-méthoxyphényl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(Z)-{(2R)-2-[(R)-(4-bromophenyl)(hydroxy)methyl]cyclohexylidene}methyl](4-methoxyphenyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(Z)-{(2R)-2-[(R)-(4-bromphenyl)(hydroxy)methyl]cyclohexyliden}methyl](4-methoxyphenyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(Z)-[(2R)-2-[(R)-(4-bromophenyl)hydroxymethyl]cyclohexylidene]methyl]-N-(4-methoxyphenyl)-, 1,1-dimethylethyl ester [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: 603.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10831.50
ACD/KOC (pH 5.5): 26891.68
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10831.62
ACD/KOC (pH 7.4): 26891.97
Polar Surface Area: 59 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 375.8±3.0 cm3

Click to predict properties on the Chemicalize site


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