ChemSpider 2D Image | (5Z,6aR,11Z,13aS)-4,6a,9,10,13,13a-Hexahydro-2H-oxocino[3,2-b]oxonine-2,8(3H)-dione | C13H16O4

(5Z,6aR,11Z,13aS)-4,6a,9,10,13,13a-Hexahydro-2H-oxocino[3,2-b]oxonine-2,8(3H)-dione

  • Molecular FormulaC13H16O4
  • Average mass236.264 Da
  • Monoisotopic mass236.104858 Da
  • ChemSpider ID21195402

  • 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

(5Z,6aR,11Z,13aS)-4,6a,9,10,13,13a-Hexahydro-2H-oxocino[3,2-b]oxonin-2,8(3H)-dion [German] [ACD/IUPAC Name]
(5Z,6aR,11Z,13aS)-4,6a,9,10,13,13a-Hexahydro-2H-oxocino[3,2-b]oxonine-2,8(3H)-dione [ACD/IUPAC Name]
(5Z,6aR,11Z,13aS)-4,6a,9,10,13,13a-Hexahydro-2H-oxocino[3,2-b]oxonine-2,8(3H)-dione [French] [ACD/IUPAC Name]
2H-Oxocino[3,2-b]oxonin-2,8(3H)-dione, 4,6a,9,10,13,13a-hexahydro-, (5Z,6aR,11Z,13aS)- [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: 467.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 247.3±27.1 °C
Index of Refraction: 1.493
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.20
ACD/KOC (pH 5.5): 309.74
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.20
ACD/KOC (pH 7.4): 309.74
Polar Surface Area: 53 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 208.8±3.0 cm3

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