About 10-trimethylsilyloxyundec-3-yn-2-ol
10-trimethylsilyloxyundec-3-yn-2-ol (PubChem CID 57425860) has the molecular formula C14H28O2Si
and a molecular weight of 256.46 g/mol. Its IUPAC name is 10-trimethylsilyloxyundec-3-yn-2-ol.
Molecular Properties
| Compound Name | 10-trimethylsilyloxyundec-3-yn-2-ol |
| PubChem CID | 57425860 |
| Molecular Formula | C14H28O2Si |
| Molecular Weight | 256.46 g/mol |
| Exact Mass | 256.19 |
| IUPAC Name | 10-trimethylsilyloxyundec-3-yn-2-ol |
| SMILES | CC(O)C#CCCCCCC(C)O[Si](C)(C)C |
| InChI | InChI=1S/C14H28O2Si/c1-13(15)11-9-7-6-8-10-12-14(2)16-17(3,4)5/h13-15H,6-8,10,12H2,1-5H3 |
| InChIKey | ZFDKJRJODCAJPG-UHFFFAOYSA-N |
| XLogP | 3.56 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 256.46 |
| LogP ≤ 5 | 3.56 |
| H-Bond Donors ≤ 5 | 1 |
| 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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 10-trimethylsilyloxyundec-3-yn-2-ol?
The IUPAC name of 10-trimethylsilyloxyundec-3-yn-2-ol (CID 57425860) is 10-trimethylsilyloxyundec-3-yn-2-ol.
What is the SMILES notation for 10-trimethylsilyloxyundec-3-yn-2-ol?
The canonical SMILES for 10-trimethylsilyloxyundec-3-yn-2-ol is CC(O)C#CCCCCCC(C)O[Si](C)(C)C.
What is the InChIKey of 10-trimethylsilyloxyundec-3-yn-2-ol?
The InChIKey is ZFDKJRJODCAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(15)11-9-7-6-8-10-12-14(2)16-17(3,4)5/h13-15H,6-8,10,12H2,1-5H3.
What are the key properties of 10-trimethylsilyloxyundec-3-yn-2-ol?
10-trimethylsilyloxyundec-3-yn-2-ol has a molecular weight of 256.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-trimethylsilyloxyundec-3-yn-2-ol is sourced from PubChem (CID 57425860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).