ChemSpider 2D Image | (1S,1'S,6R,6'R)-5,5,5',5'-Tetramethoxy-6,6'-bis(4-methoxyphenyl)-1,1'-bi(3-cyclohexen-1-yl)-2,2'-dione | C30H34O8

(1S,1'S,6R,6'R)-5,5,5',5'-Tetramethoxy-6,6'-bis(4-methoxyphenyl)-1,1'-bi(3-cyclohexen-1-yl)-2,2'-dione

  • Molecular FormulaC30H34O8
  • Average mass522.586 Da
  • Monoisotopic mass522.225342 Da
  • ChemSpider ID30660049

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,1'S,6R,6'R)-5,5,5',5'-Tetramethoxy-6,6'-bis(4-methoxyphenyl)-1,1'-bi(3-cyclohexen-1-yl)-2,2'-dion [German] [ACD/IUPAC Name]
(1S,1'S,6R,6'R)-5,5,5',5'-Tetramethoxy-6,6'-bis(4-methoxyphenyl)-1,1'-bi(3-cyclohexen-1-yl)-2,2'-dione [ACD/IUPAC Name]
(1S,1'S,6R,6'R)-5,5,5',5'-Tétraméthoxy-6,6'-bis(4-méthoxyphényl)-1,1'-bi(3-cyclohexén-1-yl)-2,2'-dione [French] [ACD/IUPAC Name]
[Bi-3-cyclohexen-1-yl]-2,2'-dione, 5,5,5',5'-tetramethoxy-6,6'-bis(4-methoxyphenyl)-, (1S,1'S,6R,6'R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 259.8±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.88
ACD/KOC (pH 5.5): 2136.87
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 314.88
ACD/KOC (pH 7.4): 2136.87
Polar Surface Area: 90 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

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