About ethoxy-dimethyl-prop-2-ynylsilane
ethoxy-dimethyl-prop-2-ynylsilane (PubChem CID 87846142) has the molecular formula C7H14OSi
and a molecular weight of 142.27 g/mol. Its IUPAC name is ethoxy-dimethyl-prop-2-ynylsilane.
Molecular Properties
| Compound Name | ethoxy-dimethyl-prop-2-ynylsilane |
| PubChem CID | 87846142 |
| Molecular Formula | C7H14OSi |
| Molecular Weight | 142.27 g/mol |
| Exact Mass | 142.08 |
| IUPAC Name | ethoxy-dimethyl-prop-2-ynylsilane |
| SMILES | C#CC[Si](C)(C)OCC |
| InChI | InChI=1S/C7H14OSi/c1-5-7-9(3,4)8-6-2/h1H,6-7H2,2-4H3 |
| InChIKey | CLFCFYVHXZAUOT-UHFFFAOYSA-N |
| XLogP | 1.86 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 9 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 142.27 |
| LogP ≤ 5 | 1.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'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 ethoxy-dimethyl-prop-2-ynylsilane?
The IUPAC name of ethoxy-dimethyl-prop-2-ynylsilane (CID 87846142) is ethoxy-dimethyl-prop-2-ynylsilane.
What is the SMILES notation for ethoxy-dimethyl-prop-2-ynylsilane?
The canonical SMILES for ethoxy-dimethyl-prop-2-ynylsilane is C#CC[Si](C)(C)OCC.
What is the InChIKey of ethoxy-dimethyl-prop-2-ynylsilane?
The InChIKey is CLFCFYVHXZAUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-5-7-9(3,4)8-6-2/h1H,6-7H2,2-4H3.
What are the key properties of ethoxy-dimethyl-prop-2-ynylsilane?
ethoxy-dimethyl-prop-2-ynylsilane has a molecular weight of 142.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-prop-2-ynylsilane is sourced from PubChem (CID 87846142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).