ChemSpider 2D Image | (1R,3'Z,5a'S,6'R,7a'R)-3'-Butylidene-6'-propyl-3',4',5',5a',6,6',7,7a'-octahydro-1'H,3H-spiro[2-benzofuran-1,7'-cyclobuta[e][2]benzofuran]-1',3-dione | C24H28O4

(1R,3'Z,5a'S,6'R,7a'R)-3'-Butylidene-6'-propyl-3',4',5',5a',6,6',7,7a'-octahydro-1'H,3H-spiro[2-benzofuran-1,7'-cyclobuta[e][2]benzofuran]-1',3-dione

  • Molecular FormulaC24H28O4
  • Average mass380.477 Da
  • Monoisotopic mass380.198761 Da
  • ChemSpider ID113601276

  • 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,3'Z,5a'S,6'R,7a'R)-3'-Butylidene-6'-propyl-3',4',5',5a',6,6',7,7a'-octahydro-1'H,3H-spiro[2-benzofuran-1,7'-cyclobuta[e][2]benzofuran]-1',3-dione [ACD/IUPAC Name]
Spiro[cyclobut[e]isobenzofuran-7(1H),1'(3'H)-isobenzofuran]-1,3'-dione, 3-butylidene-3,4,5,5a,6,6',7',7a-octahydro-6-propyl-, (3Z,5aS,6R,7R,7aR)- [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: 642.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 337.4±29.9 °C
Index of Refraction: 1.596
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1899.15
ACD/KOC (pH 5.5): 7733.73
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1899.15
ACD/KOC (pH 7.4): 7733.73
Polar Surface Area: 53 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 309.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement