ChemSpider 2D Image | 2-(3,4-Bis[(trimethylsilyl)oxy]phenyl)-3,5,7-tris[(trimethylsilyl)oxy]-4H-chromen-4-one | C30H50O7Si5

2-(3,4-Bis[(trimethylsilyl)oxy]phenyl)-3,5,7-tris[(trimethylsilyl)oxy]-4H-chromen-4-one

  • Molecular FormulaC30H50O7Si5
  • Average mass663.141 Da
  • Monoisotopic mass662.240295 Da
  • ChemSpider ID461703

More details:

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

2-(3,4-Bis[(trimethylsilyl)oxy]phenyl)-3,5,7-tris[(trimethylsilyl)oxy]-4H-chromen-4-one
2-{3,4-Bis[(trimethylsilyl)oxy]phenyl}-3,5,7-tris[(trimethylsilyl)oxy]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{3,4-Bis[(trimethylsilyl)oxy]phenyl}-3,5,7-tris[(trimethylsilyl)oxy]-4H-chromen-4-one [ACD/IUPAC Name]
2-{3,4-Bis[(triméthylsilyl)oxy]phényl}-3,5,7-tris[(triméthylsilyl)oxy]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-bis[(trimethylsilyl)oxy]phenyl]-3,5,7-tris[(trimethylsilyl)oxy]- [ACD/Index Name]
Flavone, 3,3',4',5,7-pentahydroxy, TMS
Flavone, 3,3',4',5,7-pentakis(trimethylsiloxy)-
Quercetin, (5TMS)

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

  • Gas Chromatography

    • Retention Index (Kovats):

      3438 (estimated with error: 89) NIST Spectra mainlib_153081
      3219.7 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 280 C; CAS no: 4067667; Active phase: DB-1; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Stremple, P., Improved separation and identification of aglycon flavonoids by gas chromatography on phenylmethylsilicone copolymers, J. Hi. Res. Chromatogr., 19, 1996, 581-584.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      3236 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 210 C; CAS no: 4067667; Active phase: OV-1; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Katagi, T.; Horii, A.; Oomura, Y.; Miyakawa, H.; Kyu, T.; Ikeda, Y.; Isoi, K., Gas chromatography of flavonoids, J. Chromatogr., 79, 1973, 45-56.) NIST Spectra nist ri
      3171 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 7 K/min; Start T: 30 C; End T: 300 C; End time: 20 min; Start time: 5 min; CAS no: 4067667; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Eshchenko, A.Yu.; Makarova, S.V.; Vitenberg, A.G.; Dobryakov, Yu.G.; Utsal, V.A., Identification of the products of oxidation of quercetin by air oxygen at ambient temperature, Molecules, 12, 2007, 654-672.) NIST Spectra nist ri

    • Retention Index (Linear):

      3174.6 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.18 mm; Column length: 10 m; Column type: Capillary; Heat rate: 40 K/min; Start T: 70 C; End T: 320 C; End time: 2 min; Start time: 2 min; CAS no: 4067667; Active phase: DB-5MS; Phase thickness: 0.18 um; Data type: Linear RI; Authors: Jonsson, P.; Johansson, A.I.; Gullberg, J.; Trygg, J.; Jiye, A.; Grung, B.; Marklund, S.; Sjostrom, M.; Antti, H.; Moritz, T., High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses, Anal. Chem., 77, 2005, 5635-5642.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 236.3±25.7 °C
Index of Refraction: 1.510
Molar Refractivity: 186.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -7.15
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.08
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.08
Polar Surface Area: 72 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 30.6±5.0 dyne/cm
Molar Volume: 624.2±5.0 cm3

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