Trimethylsilyl-meso-inositol
PubChem CID: 520232
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| Compound Synonyms | Trimethylsilyl-meso-inositol, 2582-79-8, mio-Inositol, hexakis-TMS, trimethyl-[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl]oxysilane, 14251-18-4, Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-, Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-, myo-, 1-O,2-O,3-O,4-O,5-O,6-O-Hexakis(trimethylsilyl)-scyllo-inositol, Hexatrimethylsilylinositol, Myoinositol TMS, meso-inositol, TMS, myo-Inositol (6TMS), Trimethylsilyl-meso-inosiitol, chiro-Inositol, hexakis-TMS, scyllo-Inositol, hexakis-TMS, Myo-Inositol, 6TMS derivative, DTXSID00334291, FRTKXRNTVMCAKI-HPEVMFQJSA-N, FRTKXRNTVMCAKI-QJJHVYBSSA-N, FRTKXRNTVMCAKI-ROQPMQEHSA-N, FRTKXRNTVMCAKI-RXOWOHSCSA-N, FRTKXRNTVMCAKI-UHFFFAOYSA-N, Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-, allo-, Trimethylsilyl-meso-inositol, ~98%, MFCD00171726, HY-W145684, FT167261, DB-046779, CS-0226126, 1,2,3,4,5,6-HEXA-O-TRIMETHELSILYL-MYO-INOSITOL, (1R,2r,3S,4R,5s,6S)-1,2,3,4,5,6-hexakis(trimethylsilyloxy)cyclohexane, Trimethyl((2,3,4,5,6-pentakis[(trimethylsilyl)oxy]cyclohexyl)oxy)silane, Trimethyl((2,3,4,5,6-pentakis[(trimethylsilyl)oxy]cyclohexyl)oxy)silane # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C[Si]OCCO[Si]C)C)C)))CO[Si]C)C)C)))CCC6O[Si]C)C)C))))O[Si]C)C)C))))O[Si]C)C)C))))))))C)C |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethyl-[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl]oxysilane |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H60O6Si6 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | FRTKXRNTVMCAKI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 1,2,3,4,5,6-hexakis-o-(trimethylsilyl) myo-inositol |
| Esol Class | Poorly soluble |
| Functional Groups | CO[Si](C)(C)C |
| Compound Name | Trimethylsilyl-meso-inositol |
| Exact Mass | 612.301 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 612.301 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 613.2 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3 |
| Smiles | C[Si](C)(C)OC1C(C(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
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