ChemSpider 2D Image | Methyl {(1S,2E)-1-[(1S)-1-acetyl-2-oxocyclopentyl]-3-phenyl-2-propen-1-yl}carbamate | C18H21NO4

Methyl {(1S,2E)-1-[(1S)-1-acetyl-2-oxocyclopentyl]-3-phenyl-2-propen-1-yl}carbamate

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID21196751

  • 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

{(1S,2E)-1-[(1S)-1-Acétyl-2-oxocyclopentyl]-3-phényl-2-propén-1-yl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2E)-1-[(1S)-1-acetyl-2-oxocyclopentyl]-3-phenyl-2-propen-1-yl]-, methyl ester [ACD/Index Name]
Methyl {(1S,2E)-1-[(1S)-1-acetyl-2-oxocyclopentyl]-3-phenyl-2-propen-1-yl}carbamate [ACD/IUPAC Name]
Methyl-{(1S,2E)-1-[(1S)-1-acetyl-2-oxocyclopentyl]-3-phenyl-2-propen-1-yl}carbamat [German] [ACD/IUPAC 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: 482.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 245.7±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 87.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 18.39
ACD/KOC (pH 5.5): 253.63
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 17.76
ACD/KOC (pH 7.4): 244.99
Polar Surface Area: 76 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 272.0±7.0 cm3

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