About butyl-dimethyl-(5-methylnonan-5-yloxy)silane
butyl-dimethyl-(5-methylnonan-5-yloxy)silane (PubChem CID 155771715) has the molecular formula C16H36OSi
and a molecular weight of 272.55 g/mol. Its IUPAC name is butyl-dimethyl-(5-methylnonan-5-yloxy)silane.
Molecular Properties
| Compound Name | butyl-dimethyl-(5-methylnonan-5-yloxy)silane |
| PubChem CID | 155771715 |
| Molecular Formula | C16H36OSi |
| Molecular Weight | 272.55 g/mol |
| Exact Mass | 272.25 |
| IUPAC Name | butyl-dimethyl-(5-methylnonan-5-yloxy)silane |
| SMILES | CCCCC(C)(CCCC)O[Si](C)(C)CCCC |
| InChI | InChI=1S/C16H36OSi/c1-7-10-13-16(4,14-11-8-2)17-18(5,6)15-12-9-3/h7-15H2,1-6H3 |
| InChIKey | LYRCIZUNWZDRMY-UHFFFAOYSA-N |
| XLogP | 6.15 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 272.55 |
| LogP ≤ 5 | 6.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 butyl-dimethyl-(5-methylnonan-5-yloxy)silane?
The IUPAC name of butyl-dimethyl-(5-methylnonan-5-yloxy)silane (CID 155771715) is butyl-dimethyl-(5-methylnonan-5-yloxy)silane.
What is the SMILES notation for butyl-dimethyl-(5-methylnonan-5-yloxy)silane?
The canonical SMILES for butyl-dimethyl-(5-methylnonan-5-yloxy)silane is CCCCC(C)(CCCC)O[Si](C)(C)CCCC.
What is the InChIKey of butyl-dimethyl-(5-methylnonan-5-yloxy)silane?
The InChIKey is LYRCIZUNWZDRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36OSi/c1-7-10-13-16(4,14-11-8-2)17-18(5,6)15-12-9-3/h7-15H2,1-6H3.
What are the key properties of butyl-dimethyl-(5-methylnonan-5-yloxy)silane?
butyl-dimethyl-(5-methylnonan-5-yloxy)silane has a molecular weight of 272.55 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(5-methylnonan-5-yloxy)silane is sourced from PubChem (CID 155771715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).