ChemSpider 2D Image | 2-Methyl-2-propanyl {(S)-(4-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.0~2,7~]undec-6-en-5-yl]methyl}carbamate | C25H34N2O4

2-Methyl-2-propanyl {(S)-(4-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl}carbamate

  • Molecular FormulaC25H34N2O4
  • Average mass426.548 Da
  • Monoisotopic mass426.251862 Da
  • ChemSpider ID30658670

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(S)-(4-Méthylphényl)[(1R,2S,5R,8S)-1,11,11-triméthyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undéc-6-én-5-yl]méthyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(S)-(4-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(S)-(4-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(S)-[(3R,5S,8R,8aS)-3,5,6,7,8,8a-hexahydro-8,9,9-trimethyl-2-oxo-5,8-methano-2H-1,4-benzoxazin-3-yl](4-methylphenyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 118.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7659.89
ACD/KOC (pH 5.5): 20957.07
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7695.35
ACD/KOC (pH 7.4): 21054.07
Polar Surface Area: 77 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 347.7±7.0 cm3

Click to predict properties on the Chemicalize site


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