ChemSpider 2D Image | (5S)-5-Benzyl-4-isopropyl-1,3,4-oxadiazinan-2-one | C13H18N2O2

(5S)-5-Benzyl-4-isopropyl-1,3,4-oxadiazinan-2-one

  • Molecular FormulaC13H18N2O2
  • Average mass234.294 Da
  • Monoisotopic mass234.136826 Da
  • ChemSpider ID24740030

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-Benzyl-4-isopropyl-1,3,4-oxadiazinan-2-on [German] [ACD/IUPAC Name]
(5S)-5-Benzyl-4-isopropyl-1,3,4-oxadiazinan-2-one [ACD/IUPAC Name]
(5S)-5-Benzyl-4-isopropyl-1,3,4-oxadiazinan-2-one [French] [ACD/IUPAC Name]
2H-1,3,4-Oxadiazin-2-one, tetrahydro-4-(1-methylethyl)-5-(phenylmethyl)-, (5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.93
ACD/KOC (pH 5.5): 285.65
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.92
ACD/KOC (pH 7.4): 285.40
Polar Surface Area: 42 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 211.5±3.0 cm3

Click to predict properties on the Chemicalize site


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