About 3-trimethoxysilylpropylazanium chloride
3-trimethoxysilylpropylazanium chloride (PubChem CID 11390286) has the molecular formula C6H18ClNO3Si
and a molecular weight of 215.75 g/mol. Its IUPAC name is 3-trimethoxysilylpropylazanium chloride.
Molecular Properties
| Compound Name | 3-trimethoxysilylpropylazanium chloride |
| PubChem CID | 11390286 |
| Molecular Formula | C6H18ClNO3Si |
| Molecular Weight | 215.75 g/mol |
| Exact Mass | 215.07 |
| IUPAC Name | 3-trimethoxysilylpropylazanium chloride |
| SMILES | CO[Si](CCC[NH3+])(OC)OC.[Cl-] |
| InChI | InChI=1S/C6H17NO3Si.ClH/c1-8-11(9-2,10-3)6-4-5-7;/h4-7H2,1-3H3;1H |
| InChIKey | GZWRMQNNGRSSNL-UHFFFAOYSA-N |
| XLogP | -3.50 |
| TPSA | 55.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 215.75 |
| LogP ≤ 5 | -3.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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-trimethoxysilylpropylazanium chloride?
The IUPAC name of 3-trimethoxysilylpropylazanium chloride (CID 11390286) is 3-trimethoxysilylpropylazanium chloride.
What is the SMILES notation for 3-trimethoxysilylpropylazanium chloride?
The canonical SMILES for 3-trimethoxysilylpropylazanium chloride is CO[Si](CCC[NH3+])(OC)OC.[Cl-].
What is the InChIKey of 3-trimethoxysilylpropylazanium chloride?
The InChIKey is GZWRMQNNGRSSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO3Si.ClH/c1-8-11(9-2,10-3)6-4-5-7;/h4-7H2,1-3H3;1H.
What are the key properties of 3-trimethoxysilylpropylazanium chloride?
3-trimethoxysilylpropylazanium chloride has a molecular weight of 215.75 g/mol, XLogP of -3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropylazanium chloride is sourced from PubChem (CID 11390286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).