About diethoxytin
diethoxytin (PubChem CID 16685059) has the molecular formula C4H10O2Sn
and a molecular weight of 208.83 g/mol. Its IUPAC name is diethoxytin.
Molecular Properties
| Compound Name | diethoxytin |
|---|
| PubChem CID | 16685059 |
|---|
| Molecular Formula | C4H10O2Sn |
|---|
| Molecular Weight | 208.83 g/mol |
|---|
| Exact Mass | 209.97 |
|---|
| IUPAC Name | diethoxytin |
|---|
| SMILES | CCO[Sn]OCC |
|---|
| InChI | InChI=1S/2C2H5O.Sn/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2 |
|---|
| InChIKey | XCKWFNSALCEAPW-UHFFFAOYSA-N |
|---|
| XLogP | 0.59 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 7 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 208.83 |
| LogP ≤ 5 | 0.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of diethoxytin?
The IUPAC name of diethoxytin (CID 16685059) is diethoxytin.
What is the SMILES notation for diethoxytin?
The canonical SMILES for diethoxytin is CCO[Sn]OCC.
What is the InChIKey of diethoxytin?
The InChIKey is XCKWFNSALCEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.Sn/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2.
What are the key properties of diethoxytin?
diethoxytin has a molecular weight of 208.83 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxytin is sourced from PubChem (CID 16685059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).