ChemSpider 2D Image | 3,11-Bis(3,4-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.3]hexadecan-7-one | C28H34O9

3,11-Bis(3,4-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.3]hexadecan-7-one

  • Molecular FormulaC28H34O9
  • Average mass514.564 Da
  • Monoisotopic mass514.220276 Da
  • ChemSpider ID1375047

More details:

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

2,4,10,12-Tetraoxadispiro[5.1.5.3]hexadecan-7-one, 3,11-bis(3,4-dimethoxyphenyl)- [ACD/Index Name]
3,11-Bis(3,4-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.3]hexadecan-7-on [German] [ACD/IUPAC Name]
3,11-Bis(3,4-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.3]hexadecan-7-one [ACD/IUPAC Name]
3,11-Bis(3,4-diméthoxyphényl)-2,4,10,12-tétraoxadispiro[5.1.5.3]hexadécan-7-one [French] [ACD/IUPAC Name]
3,11-BIS(3,4-DIMETHOXYPHENYL)-2,4,10,12-TETRAOXADISPIRO[5.1.5λ(8).3λ(6)]HEXADECAN-7-ONE

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

AF-399/13426078 [DBID]
ZINC02073307 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 652.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 276.2±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.17
ACD/KOC (pH 5.5): 3495.21
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.17
ACD/KOC (pH 7.4): 3495.21
Polar Surface Area: 91 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 399.3±5.0 cm3

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