Found 1 result

Search term: 78438159 (Found by CSID)
ChemSpider 2D Image | (1R,3S,4S,5E)-7-Butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione | C20H28O5

(1R,3S,4S,5E)-7-Butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID78438159

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,3S,4S,5E)-7-Butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxy-2,4-hexadien-1-yliden]-1,3-dimethylbicyclo[2.2.2]octan-2,6-dion [German] [ACD/IUPAC Name]
(1R,3S,4S,5E)-7-Butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione [ACD/IUPAC Name]
(1R,3S,4S,5E)-7-Butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxy-2,4-hexadién-1-ylidène]-1,3-diméthylbicyclo[2.2.2]octane-2,6-dione [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-2,6-dione, 7-butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-1,3-dimethyl-, (1R,3S,4S,5E)- [ACD/Index Name]
REZISHANONE B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 181.3±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 7.44
ACD/KOC (pH 5.5): 70.22
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 84 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 296.4±5.0 cm3

Click to predict properties on the Chemicalize site


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