About cyclononyl-diethyl-propan-2-ylsilane
cyclononyl-diethyl-propan-2-ylsilane (PubChem CID 70177803) has the molecular formula C16H34Si
and a molecular weight of 254.53 g/mol. Its IUPAC name is cyclononyl-diethyl-propan-2-ylsilane.
Molecular Properties
| Compound Name | cyclononyl-diethyl-propan-2-ylsilane |
| PubChem CID | 70177803 |
| Molecular Formula | C16H34Si |
| Molecular Weight | 254.53 g/mol |
| Exact Mass | 254.24 |
| IUPAC Name | cyclononyl-diethyl-propan-2-ylsilane |
| SMILES | CC[Si](CC)(C(C)C)C1CCCCCCCC1 |
| InChI | InChI=1S/C16H34Si/c1-5-17(6-2,15(3)4)16-13-11-9-7-8-10-12-14-16/h15-16H,5-14H2,1-4H3 |
| InChIKey | PUUMOIJMXRGMST-UHFFFAOYSA-N |
| XLogP | 6.39 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 254.53 |
| LogP ≤ 5 | 6.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 cyclononyl-diethyl-propan-2-ylsilane?
The IUPAC name of cyclononyl-diethyl-propan-2-ylsilane (CID 70177803) is cyclononyl-diethyl-propan-2-ylsilane.
What is the SMILES notation for cyclononyl-diethyl-propan-2-ylsilane?
The canonical SMILES for cyclononyl-diethyl-propan-2-ylsilane is CC[Si](CC)(C(C)C)C1CCCCCCCC1.
What is the InChIKey of cyclononyl-diethyl-propan-2-ylsilane?
The InChIKey is PUUMOIJMXRGMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34Si/c1-5-17(6-2,15(3)4)16-13-11-9-7-8-10-12-14-16/h15-16H,5-14H2,1-4H3.
What are the key properties of cyclononyl-diethyl-propan-2-ylsilane?
cyclononyl-diethyl-propan-2-ylsilane has a molecular weight of 254.53 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononyl-diethyl-propan-2-ylsilane is sourced from PubChem (CID 70177803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).