About hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane
hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane (PubChem CID 158237919) has the molecular formula C23H38O8Si3
and a molecular weight of 526.81 g/mol. Its IUPAC name is hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane.
Molecular Properties
| Compound Name | hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane |
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| PubChem CID | 158237919 |
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| Molecular Formula | C23H38O8Si3 |
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| Molecular Weight | 526.81 g/mol |
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| Exact Mass | 526.19 |
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| IUPAC Name | hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane |
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| SMILES | CO[Si](C)(O)O[Si](C)(OC)O[Si](O)(CCCOc1ccc(C(C)(C)c2ccccc2)cc1)OC |
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| InChI | InChI=1S/C23H38O8Si3/c1-23(2,20-12-9-8-10-13-20)21-14-16-22(17-15-21)29-18-11-19-34(25,28-5)31-33(7,27-4)30-32(6,24)26-3/h8-10,12-17,24-25H,11,18-19H2,1-7H3 |
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| InChIKey | KJKHVABYLBPZIN-UHFFFAOYSA-N |
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| XLogP | 3.81 |
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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 | 14 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 526.81 |
| LogP ≤ 5 | 3.81 |
| 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 hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane?
The IUPAC name of hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane (CID 158237919) is hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane.
What is the SMILES notation for hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane?
The canonical SMILES for hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane is CO[Si](C)(O)O[Si](C)(OC)O[Si](O)(CCCOc1ccc(C(C)(C)c2ccccc2)cc1)OC.
What is the InChIKey of hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane?
The InChIKey is KJKHVABYLBPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O8Si3/c1-23(2,20-12-9-8-10-13-20)21-14-16-22(17-15-21)29-18-11-19-34(25,28-5)31-33(7,27-4)30-32(6,24)26-3/h8-10,12-17,24-25H,11,18-19H2,1-7H3.
What are the key properties of hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane?
hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane has a molecular weight of 526.81 g/mol, XLogP of 3.81, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilyl]oxy-methoxy-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]silane is sourced from PubChem (CID 158237919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).