ChemSpider 2D Image | [(1R,3S,3aR,11aS)-4,11-Dioxo-1,1',3,3',3a,4,11,11a-octahydrospiro[cyclopenta[b]anthracene-2,2'-indene]-1,3-diyl]di(1Z)-1-propene-1,3-diyl diacetate | C35H32O6

[(1R,3S,3aR,11aS)-4,11-Dioxo-1,1',3,3',3a,4,11,11a-octahydrospiro[cyclopenta[b]anthracene-2,2'-indene]-1,3-diyl]di(1Z)-1-propene-1,3-diyl diacetate

  • Molecular FormulaC35H32O6
  • Average mass548.625 Da
  • Monoisotopic mass548.219910 Da
  • ChemSpider ID75547655

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,3S,3aR,11aS)-4,11-Dioxo-1,1',3,3',3a,4,11,11a-octahydrospiro[cyclopenta[b]anthracene-2,2'-indene]-1,3-diyl]di(1Z)-1-propene-1,3-diyl diacetate [ACD/IUPAC Name]
Spiro[2H-cyclopent[b]anthracene-2,2'-[2H]indene]-4,11-dione, 1,3-bis[(1Z)-3-(acetyloxy)-1-propen-1-yl]-1,1',3,3',3a,11a-hexahydro-, (1R,3S,3aR,11aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 297.8±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35338.75
ACD/KOC (pH 5.5): 62693.38
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35338.75
ACD/KOC (pH 7.4): 62693.38
Polar Surface Area: 87 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

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