ChemSpider 2D Image | (6S,7E,10R)-6-Hydroxy-10-methyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one | C10H16O3

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

  • Molecular FormulaC10H16O3
  • Average mass184.232 Da
  • Monoisotopic mass184.109940 Da
  • ChemSpider ID23314513

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(6S,7E,10R)-6-Hydroxy-10-methyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(6S,7E,10R)-6-Hydroxy-10-methyl-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(6S,7E,10R)-6-Hydroxy-10-méthyl-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-methyl-, (6S,7E,10R)- [ACD/Index Name]
(6α,10β)-6-hydroxy-10-methyl-3,4,5,6,9,10-hexahydro-oxecin-2-one)
stagonolide F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 352.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 154.5±20.7 °C
Index of Refraction: 1.473
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.09
ACD/KOC (pH 5.5): 95.36
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 95.36
Polar Surface Area: 47 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 175.2±3.0 cm3

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