ChemSpider 2D Image | (2'S,3R,4a'R,5R,8a'S)-5-(3-Furyl)-2',5'-dimethyl-4,4',4a',5,8',8a'-hexahydro-2'H-spiro[furan-3,1'-naphthalene]-2,7'(3'H)-dione | C19H22O4

(2'S,3R,4a'R,5R,8a'S)-5-(3-Furyl)-2',5'-dimethyl-4,4',4a',5,8',8a'-hexahydro-2'H-spiro[furan-3,1'-naphthalene]-2,7'(3'H)-dione

  • Molecular FormulaC19H22O4
  • Average mass314.376 Da
  • Monoisotopic mass314.151794 Da
  • ChemSpider ID62647514

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2'S,3R,4a'R,5R,8a'S)-5-(3-Furyl)-2',5'-dimethyl-4,4',4a',5,8',8a'-hexahydro-2'H-spiro[furan-3,1'-naphthalene]-2,7'(3'H)-dion [German] [ACD/IUPAC Name]
(2'S,3R,4a'R,5R,8a'S)-5-(3-Furyl)-2',5'-dimethyl-4,4',4a',5,8',8a'-hexahydro-2'H-spiro[furan-3,1'-naphthalene]-2,7'(3'H)-dione [ACD/IUPAC Name]
(2'S,3R,4a'R,5R,8a'S)-5-(3-Furyl)-2',5'-diméthyl-4,4',4a',5,8',8a'-hexahydro-2'H-spiro[furan-3,1'-naphthalene]-2,7'(3'H)-dione [French] [ACD/IUPAC Name]
Spiro[furan-3(2H),1'(7'H)-naphthalene]-2,7'-dione, 5-(3-furanyl)-2',3',4,4',4'a,5,8',8'a-octahydro-2',5'-dimethyl-, (2'S,3R,4a'R,5R,8a'S)- [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: 510.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.6±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 65.90
ACD/KOC (pH 5.5): 697.53
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 65.90
ACD/KOC (pH 7.4): 697.53
Polar Surface Area: 57 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 257.7±5.0 cm3

Click to predict properties on the Chemicalize site


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