About 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol
2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol (PubChem CID 20752226) has the molecular formula C22H52O8Si3
and a molecular weight of 528.91 g/mol. Its IUPAC name is 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol.
Molecular Properties
| Compound Name | 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol |
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| PubChem CID | 20752226 |
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| Molecular Formula | C22H52O8Si3 |
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| Molecular Weight | 528.91 g/mol |
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| Exact Mass | 528.30 |
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| IUPAC Name | 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol |
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| SMILES | CC(CO)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(C)CO |
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| InChI | InChI=1S/C22H52O8Si3/c1-21(19-23)27-15-13-25-11-9-17-31(3,4)29-33(7,8)30-32(5,6)18-10-12-26-14-16-28-22(2)20-24/h21-24H,9-20H2,1-8H3 |
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| InChIKey | ARUUUQLULLOGLU-UHFFFAOYSA-N |
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| XLogP | 3.74 |
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| TPSA | 95.84 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 528.91 |
| LogP ≤ 5 | 3.74 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol?
The IUPAC name of 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol (CID 20752226) is 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol?
The canonical SMILES for 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol is CC(CO)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(C)CO.
What is the InChIKey of 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol?
The InChIKey is ARUUUQLULLOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52O8Si3/c1-21(19-23)27-15-13-25-11-9-17-31(3,4)29-33(7,8)30-32(5,6)18-10-12-26-14-16-28-22(2)20-24/h21-24H,9-20H2,1-8H3.
What are the key properties of 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol?
2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol has a molecular weight of 528.91 g/mol, XLogP of 3.74, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[[3-[2-(1-hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol is sourced from PubChem (CID 20752226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).