About 4-(2-methyloxasilinan-2-yl)butanenitrile
4-(2-methyloxasilinan-2-yl)butanenitrile (PubChem CID 70470748) has the molecular formula C9H17NOSi
and a molecular weight of 183.33 g/mol. Its IUPAC name is 4-(2-methyloxasilinan-2-yl)butanenitrile.
Molecular Properties
| Compound Name | 4-(2-methyloxasilinan-2-yl)butanenitrile |
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| PubChem CID | 70470748 |
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| Molecular Formula | C9H17NOSi |
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| Molecular Weight | 183.33 g/mol |
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| Exact Mass | 183.11 |
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| IUPAC Name | 4-(2-methyloxasilinan-2-yl)butanenitrile |
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| SMILES | C[Si]1(CCCC#N)CCCCO1 |
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| InChI | InChI=1S/C9H17NOSi/c1-12(8-4-2-6-10)9-5-3-7-11-12/h2-5,7-9H2,1H3 |
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| InChIKey | BZVXBCCWKGQYBH-UHFFFAOYSA-N |
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| XLogP | 2.68 |
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| TPSA | 33.02 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 183.33 |
| LogP ≤ 5 | 2.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 4-(2-methyloxasilinan-2-yl)butanenitrile?
The IUPAC name of 4-(2-methyloxasilinan-2-yl)butanenitrile (CID 70470748) is 4-(2-methyloxasilinan-2-yl)butanenitrile.
What is the SMILES notation for 4-(2-methyloxasilinan-2-yl)butanenitrile?
The canonical SMILES for 4-(2-methyloxasilinan-2-yl)butanenitrile is C[Si]1(CCCC#N)CCCCO1.
What is the InChIKey of 4-(2-methyloxasilinan-2-yl)butanenitrile?
The InChIKey is BZVXBCCWKGQYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOSi/c1-12(8-4-2-6-10)9-5-3-7-11-12/h2-5,7-9H2,1H3.
What are the key properties of 4-(2-methyloxasilinan-2-yl)butanenitrile?
4-(2-methyloxasilinan-2-yl)butanenitrile has a molecular weight of 183.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxasilinan-2-yl)butanenitrile is sourced from PubChem (CID 70470748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).