ChemSpider 2D Image | (3Z,5aR,5bR,8Z,10aS,10bS)-3,8-Dibutylidene-5,5a,5b,8,9,10,10a,10b-octahydrofuro[3',4':5,6]biphenyleno[1,2-c]furan-1,6(3H,4H)-dione | C24H28O4

(3Z,5aR,5bR,8Z,10aS,10bS)-3,8-Dibutylidene-5,5a,5b,8,9,10,10a,10b-octahydrofuro[3',4':5,6]biphenyleno[1,2-c]furan-1,6(3H,4H)-dione

  • Molecular FormulaC24H28O4
  • Average mass380.477 Da
  • Monoisotopic mass380.198761 Da
  • ChemSpider ID28533848

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z,5aR,5bR,8Z,10aS,10bS)-3,8-Dibutyliden-5,5a,5b,8,9,10,10a,10b-octahydrofuro[3',4':5,6]biphenyleno[1,2-c]furan-1,6(3H,4H)-dion [German] [ACD/IUPAC Name]
(3Z,5aR,5bR,8Z,10aS,10bS)-3,8-Dibutylidene-5,5a,5b,8,9,10,10a,10b-octahydrofuro[3',4':5,6]biphenyleno[1,2-c]furan-1,6(3H,4H)-dione [ACD/IUPAC Name]
(3Z,5aR,5bR,8Z,10aS,10bS)-3,8-Dibutylidène-5,5a,5b,8,9,10,10a,10b-octahydrofuro[3',4':5,6]biphényléno[1,2-c]furane-1,6(3H,4H)-dione [French] [ACD/IUPAC Name]
Biphenyleno[1,2-c:5,6-c']difuran-1,6(3H,4H)-dione, 3,8-dibutylidene-5,5a,5b,8,9,10,10a,10b-octahydro-, (3Z,5aR,5bR,8Z,10aS,10bS)- [ACD/Index Name]
3,3'Z-6.7',7.6'-diligustilide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 321.5±29.9 °C
Index of Refraction: 1.594
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3279.50
ACD/KOC (pH 5.5): 11434.32
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3279.50
ACD/KOC (pH 7.4): 11434.32
Polar Surface Area: 53 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 309.2±5.0 cm3

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