About 3-methyl-6-silaspiro[5.5]undecane
3-methyl-6-silaspiro[5.5]undecane (PubChem CID 156715345) has the molecular formula C11H22Si
and a molecular weight of 182.38 g/mol. Its IUPAC name is 3-methyl-6-silaspiro[5.5]undecane.
Molecular Properties
| Compound Name | 3-methyl-6-silaspiro[5.5]undecane |
| PubChem CID | 156715345 |
| Molecular Formula | C11H22Si |
| Molecular Weight | 182.38 g/mol |
| Exact Mass | 182.15 |
| IUPAC Name | 3-methyl-6-silaspiro[5.5]undecane |
| SMILES | CC1CC[Si]2(CCCCC2)CC1 |
| InChI | InChI=1S/C11H22Si/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h11H,2-10H2,1H3 |
| InChIKey | LBDUSETWJUGNSR-UHFFFAOYSA-N |
| XLogP | 4.05 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.38 |
| LogP ≤ 5 | 4.05 |
| 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 3-methyl-6-silaspiro[5.5]undecane?
The IUPAC name of 3-methyl-6-silaspiro[5.5]undecane (CID 156715345) is 3-methyl-6-silaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-6-silaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-6-silaspiro[5.5]undecane is CC1CC[Si]2(CCCCC2)CC1.
What is the InChIKey of 3-methyl-6-silaspiro[5.5]undecane?
The InChIKey is LBDUSETWJUGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Si/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h11H,2-10H2,1H3.
What are the key properties of 3-methyl-6-silaspiro[5.5]undecane?
3-methyl-6-silaspiro[5.5]undecane has a molecular weight of 182.38 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-silaspiro[5.5]undecane is sourced from PubChem (CID 156715345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).