About heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 12566776) has the molecular formula C18H42OSi2
and a molecular weight of 330.71 g/mol. Its IUPAC name is heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane.
Molecular Properties
| Compound Name | heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane |
| PubChem CID | 12566776 |
| Molecular Formula | C18H42OSi2 |
| Molecular Weight | 330.71 g/mol |
| Exact Mass | 330.28 |
| IUPAC Name | heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane |
| SMILES | CCCCCCC[Si](C)(C)O[Si](C)(C)CCCCCCC |
| InChI | InChI=1S/C18H42OSi2/c1-7-9-11-13-15-17-20(3,4)19-21(5,6)18-16-14-12-10-8-2/h7-18H2,1-6H3 |
| InChIKey | SLOIAUPBXLDNNP-UHFFFAOYSA-N |
| XLogP | 7.35 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 330.71 |
| LogP ≤ 5 | 7.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane (CID 12566776) is heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane is CCCCCCC[Si](C)(C)O[Si](C)(C)CCCCCCC.
What is the InChIKey of heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is SLOIAUPBXLDNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42OSi2/c1-7-9-11-13-15-17-20(3,4)19-21(5,6)18-16-14-12-10-8-2/h7-18H2,1-6H3.
What are the key properties of heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane?
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 330.71 g/mol, XLogP of 7.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 12566776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).