ChemSpider 2D Image | (6S,7E)-6-Hydroxy-10-propyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one | C12H20O3

(6S,7E)-6-Hydroxy-10-propyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID35518558

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6S,7E)-6-Hydroxy-10-propyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(6S,7E)-6-Hydroxy-10-propyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(6S,7E)-6-Hydroxy-10-propyl-3,4,5,6,9,10-hexahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
2H-Oxecin-2-one, 3,4,5,6,9,10-hexahydro-6-hydroxy-10-propyl-, (6S,7E)- [ACD/Index Name]
Putaminoxin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 376.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.2±6.0 kJ/mol
Flash Point: 159.9±20.7 °C
Index of Refraction: 1.470
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.51
ACD/KOC (pH 5.5): 247.61
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.51
ACD/KOC (pH 7.4): 247.61
Polar Surface Area: 47 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 209.3±3.0 cm3

Click to predict properties on the Chemicalize site


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