About 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane
1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane (PubChem CID 160676692) has the molecular formula C24H71NO5Si4
and a molecular weight of 566.18 g/mol. Its IUPAC name is 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane.
Molecular Properties
| Compound Name | 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane |
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| PubChem CID | 160676692 |
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| Molecular Formula | C24H71NO5Si4 |
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| Molecular Weight | 566.18 g/mol |
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| Exact Mass | 565.44 |
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| IUPAC Name | 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane |
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| SMILES | C.C.C.C.C.C.CC(O)CN(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)CC(C)O |
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| InChI | InChI=1S/C18H47NO5Si4.6CH4/c1-17(20)15-19(16-18(2)21)13-12-14-28(11,23-26(6,7)8)24-27(9,10)22-25(3,4)5;;;;;;/h17-18,20-21H,12-16H2,1-11H3;6*1H4 |
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| InChIKey | RNPUWEYWPMHMGC-UHFFFAOYSA-N |
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| XLogP | 7.75 |
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| TPSA | 71.39 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 566.18 |
| LogP ≤ 5 | 7.75 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?
The IUPAC name of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane (CID 160676692) is 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane.
What is the SMILES notation for 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?
The canonical SMILES for 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane is C.C.C.C.C.C.CC(O)CN(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)CC(C)O.
What is the InChIKey of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?
The InChIKey is RNPUWEYWPMHMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H47NO5Si4.6CH4/c1-17(20)15-19(16-18(2)21)13-12-14-28(11,23-26(6,7)8)24-27(9,10)22-25(3,4)5;;;;;;/h17-18,20-21H,12-16H2,1-11H3;6*1H4.
What are the key properties of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?
1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane has a molecular weight of 566.18 g/mol, XLogP of 7.75, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane is sourced from PubChem (CID 160676692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).