About 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate
3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate (PubChem CID 167678018) has the molecular formula C25H56O8Si4
and a molecular weight of 597.06 g/mol. Its IUPAC name is 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate.
Molecular Properties
| Compound Name | 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate |
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| PubChem CID | 167678018 |
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| Molecular Formula | C25H56O8Si4 |
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| Molecular Weight | 597.06 g/mol |
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| Exact Mass | 596.31 |
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| IUPAC Name | 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate |
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| SMILES | CC(C)O[Si](C)(CCCCC(=O)OCCCOC(=O)CCCC[Si](C)(OC(C)C)O[SiH](C)C)O[SiH](C)C |
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| InChI | InChI=1S/C25H56O8Si4/c1-22(2)30-36(9,32-34(5)6)20-13-11-16-24(26)28-18-15-19-29-25(27)17-12-14-21-37(10,31-23(3)4)33-35(7)8/h22-23,34-35H,11-21H2,1-10H3 |
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| InChIKey | ZAAGGWKNHVCRLS-UHFFFAOYSA-N |
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| XLogP | 5.80 |
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| TPSA | 89.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 597.06 |
| LogP ≤ 5 | 5.80 |
| H-Bond Donors ≤ 5 | 0 |
| 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 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate?
The IUPAC name of 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate (CID 167678018) is 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate.
What is the SMILES notation for 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate?
The canonical SMILES for 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate is CC(C)O[Si](C)(CCCCC(=O)OCCCOC(=O)CCCC[Si](C)(OC(C)C)O[SiH](C)C)O[SiH](C)C.
What is the InChIKey of 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate?
The InChIKey is ZAAGGWKNHVCRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H56O8Si4/c1-22(2)30-36(9,32-34(5)6)20-13-11-16-24(26)28-18-15-19-29-25(27)17-12-14-21-37(10,31-23(3)4)33-35(7)8/h22-23,34-35H,11-21H2,1-10H3.
What are the key properties of 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate?
3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate has a molecular weight of 597.06 g/mol, XLogP of 5.80, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate is sourced from PubChem (CID 167678018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).