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Search term: BAICSSKVNUPITP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3,11-Bis(2,3-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.2]pentadecan-7-one | C27H32O9

3,11-Bis(2,3-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.2]pentadecan-7-one

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID1729112

More details:






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

2,4,10,12-Tetraoxadispiro[5.1.5.2]pentadecan-7-one, 3,11-bis(2,3-dimethoxyphenyl)- [ACD/Index Name]
3,11-Bis(2,3-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.2]pentadecan-7-on [German] [ACD/IUPAC Name]
3,11-Bis(2,3-dimethoxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.5.2]pentadecan-7-one [ACD/IUPAC Name]
3,11-Bis(2,3-diméthoxyphényl)-2,4,10,12-tétraoxadispiro[5.1.5.2]pentadécan-7-one [French] [ACD/IUPAC Name]
3,11-BIS(2,3-DIMETHOXYPHENYL)-2,4,10,12-TETRAOXADISPIRO[5.1.5λ(8).2λ(6)]PENTADECAN-7-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 265.5±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.83
ACD/KOC (pH 5.5): 1038.03
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.83
ACD/KOC (pH 7.4): 1038.03
Polar Surface Area: 91 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

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