About ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid
ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid (PubChem CID 166907584) has the molecular formula C16H36O11P2
and a molecular weight of 466.40 g/mol. Its IUPAC name is ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid.
Molecular Properties
| Compound Name | ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid |
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| PubChem CID | 166907584 |
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| Molecular Formula | C16H36O11P2 |
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| Molecular Weight | 466.40 g/mol |
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| Exact Mass | 466.17 |
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| IUPAC Name | ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid |
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| SMILES | CCP(=O)(O)OCC(O)COCCOCCOCCOCCOP(=O)(O)C(C)C |
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| InChI | InChI=1S/C16H36O11P2/c1-4-28(18,19)27-14-16(17)13-25-10-9-23-6-5-22-7-8-24-11-12-26-29(20,21)15(2)3/h15-17H,4-14H2,1-3H3,(H,18,19)(H,20,21) |
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| InChIKey | GPKPLHLNQWRUGF-UHFFFAOYSA-N |
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| XLogP | 1.25 |
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| TPSA | 150.21 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 466.40 |
| LogP ≤ 5 | 1.25 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
The IUPAC name of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid (CID 166907584) is ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid.
What is the SMILES notation for ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
The canonical SMILES for ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid is CCP(=O)(O)OCC(O)COCCOCCOCCOCCOP(=O)(O)C(C)C.
What is the InChIKey of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
The InChIKey is GPKPLHLNQWRUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O11P2/c1-4-28(18,19)27-14-16(17)13-25-10-9-23-6-5-22-7-8-24-11-12-26-29(20,21)15(2)3/h15-17H,4-14H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid?
ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid has a molecular weight of 466.40 g/mol, XLogP of 1.25, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid is sourced from PubChem (CID 166907584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).