ChemSpider 2D Image | 1,2-Ethanediylbis{[(1S,4S,5R,9S,10S,13R)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-14-ene-14,5-diyl]methylene} diacetate | C44H66O4

1,2-Ethanediylbis{[(1S,4S,5R,9S,10S,13R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14,5-diyl]methylene} diacetate

  • Molecular FormulaC44H66O4
  • Average mass658.992 Da
  • Monoisotopic mass658.496094 Da
  • ChemSpider ID17284734

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

1,2-Ethandiylbis{[(1S,4S,5R,9S,10S,13R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-14,5-diyl]methylen}-diacetat [German] [ACD/IUPAC Name]
1,2-Ethanediylbis{[(1S,4S,5R,9S,10S,13R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14,5-diyl]methylene} diacetate [ACD/IUPAC Name]
Diacétate de 1,2-éthanediylbis{[(1S,4S,5R,9S,10S,13R)-5,9-diméthyltétracyclo[11.2.1.01,10.04,9]hexadéc-14-ène-14,5-diyl]méthylène} [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 681.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 329.5±25.2 °C
Index of Refraction: 1.564
Molar Refractivity: 192.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 14.02
ACD/LogD (pH 5.5): 13.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 591.9±5.0 cm3

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