ChemSpider 2D Image | cupacinoxepin, (rel)- | C31H52O3

cupacinoxepin, (rel)-

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID26346834

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5aR,7aR,8aR,10aS,14aR,14bR,16aR,16bS)-5,5,7a,8a,10a,11,11,14a,16b-Nonamethylicosahydronaphtho[2,1-b]oxepino[4,3-g][1]benzoxepin-3(2H)-on [German] [ACD/IUPAC Name]
(5aR,7aR,8aR,10aS,14aR,14bR,16aR,16bS)-5,5,7a,8a,10a,11,11,14a,16b-Nonamethylicosahydronaphtho[2,1-b]oxepino[4,3-g][1]benzoxepin-3(2H)-one [ACD/IUPAC Name]
(5aR,7aR,8aR,10aS,14aR,14bR,16aR,16bS)-5,5,7a,8a,10a,11,11,14a,16b-Nonaméthylicosahydronaphto[2,1-b]oxépino[4,3-g][1]benzoxépin-3(2H)-one [French] [ACD/IUPAC Name]
cupacinoxepin, (rel)-
Naphtho[1,2-f]benzo[1,2-b:4,3-c']bisoxepin-3(2H)-one, eicosahydro-5,5,7a,8a,10a,11,11,14a,16b-nonamethyl-, (5aR,7aR,8aR,10aS,14aR,14bR,16aR,16bS)- [ACD/Index Name]
rel-(5aR,7aR,8aR,10aS,14aR,14bR,16aR,16bS)-5,5,7a,8a,10a,11,11,14a,16b-Nonamethylicosahydronaphtho[2,1-b]oxepino[4,3-g][1]benzoxepin-3(2H)-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 535.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 233.0±24.7 °C
Index of Refraction: 1.491
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.08
ACD/LogD (pH 5.5): 8.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1247199.25
ACD/LogD (pH 7.4): 8.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1247199.25
Polar Surface Area: 36 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 479.0±3.0 cm3

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