About 4-trimethylsilyloxyheptan-4-ylphosphane
4-trimethylsilyloxyheptan-4-ylphosphane (PubChem CID 102499494) has the molecular formula C10H25OPSi
and a molecular weight of 220.37 g/mol. Its IUPAC name is 4-trimethylsilyloxyheptan-4-ylphosphane.
Molecular Properties
| Compound Name | 4-trimethylsilyloxyheptan-4-ylphosphane |
| PubChem CID | 102499494 |
| Molecular Formula | C10H25OPSi |
| Molecular Weight | 220.37 g/mol |
| Exact Mass | 220.14 |
| IUPAC Name | 4-trimethylsilyloxyheptan-4-ylphosphane |
| SMILES | CCCC(P)(CCC)O[Si](C)(C)C |
| InChI | InChI=1S/C10H25OPSi/c1-6-8-10(12,9-7-2)11-13(3,4)5/h6-9,12H2,1-5H3 |
| InChIKey | IJGWABRXEXCCFJ-UHFFFAOYSA-N |
| XLogP | 4.01 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 220.37 |
| LogP ≤ 5 | 4.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Analyze 4-trimethylsilyloxyheptan-4-ylphosphane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-trimethylsilyloxyheptan-4-ylphosphane?
The IUPAC name of 4-trimethylsilyloxyheptan-4-ylphosphane (CID 102499494) is 4-trimethylsilyloxyheptan-4-ylphosphane.
What is the SMILES notation for 4-trimethylsilyloxyheptan-4-ylphosphane?
The canonical SMILES for 4-trimethylsilyloxyheptan-4-ylphosphane is CCCC(P)(CCC)O[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyloxyheptan-4-ylphosphane?
The InChIKey is IJGWABRXEXCCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25OPSi/c1-6-8-10(12,9-7-2)11-13(3,4)5/h6-9,12H2,1-5H3.
What are the key properties of 4-trimethylsilyloxyheptan-4-ylphosphane?
4-trimethylsilyloxyheptan-4-ylphosphane has a molecular weight of 220.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxyheptan-4-ylphosphane is sourced from PubChem (CID 102499494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).