ChemSpider 2D Image | 1-[(2R,3'R)-7'-Hydroxy-3'-methoxy-3'-octyl-3H,3'H-spiro[1-benzofuran-2,1'-[2]benzofuran]-4-yl]-1-nonanone | C33H46O5

1-[(2R,3'R)-7'-Hydroxy-3'-methoxy-3'-octyl-3H,3'H-spiro[1-benzofuran-2,1'-[2]benzofuran]-4-yl]-1-nonanone

  • Molecular FormulaC33H46O5
  • Average mass522.715 Da
  • Monoisotopic mass522.334534 Da
  • ChemSpider ID44210825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2R,3'R)-7'-Hydroxy-3'-methoxy-3'-octyl-3H,3'H-spiro[1-benzofuran-2,1'-[2]benzofuran]-4-yl]-1-nonanone [ACD/IUPAC Name]
1-Nonanone, 1-[(2R,3'R)-7'-hydroxy-3'-methoxy-3'-octylspiro[benzofuran-2(3H),1'(3'H)-isobenzofuran]-4-yl]- [ACD/Index Name]
Paeciloketal B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 198.8±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.26
ACD/LogD (pH 5.5): 9.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2302538.75
ACD/LogD (pH 7.4): 9.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2289696.50
Polar Surface Area: 65 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 464.7±5.0 cm3

Click to predict properties on the Chemicalize site


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