About triethoxy-[(E)-3-ethoxyprop-1-enyl]silane
triethoxy-[(E)-3-ethoxyprop-1-enyl]silane (PubChem CID 12980545) has the molecular formula C11H24O4Si
and a molecular weight of 248.39 g/mol. Its IUPAC name is triethoxy-[(E)-3-ethoxyprop-1-enyl]silane.
Molecular Properties
| Compound Name | triethoxy-[(E)-3-ethoxyprop-1-enyl]silane |
| PubChem CID | 12980545 |
| Molecular Formula | C11H24O4Si |
| Molecular Weight | 248.39 g/mol |
| Exact Mass | 248.14 |
| IUPAC Name | triethoxy-[(E)-3-ethoxyprop-1-enyl]silane |
| SMILES | CCOC/C=C/[Si](OCC)(OCC)OCC |
| InChI | InChI=1S/C11H24O4Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4/h9,11H,5-8,10H2,1-4H3/b11-9+ |
| InChIKey | AKQJGFYKAFAXBB-PKNBQFBNSA-N |
| XLogP | 2.17 |
| TPSA | 36.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 248.39 |
| LogP ≤ 5 | 2.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of triethoxy-[(E)-3-ethoxyprop-1-enyl]silane?
The IUPAC name of triethoxy-[(E)-3-ethoxyprop-1-enyl]silane (CID 12980545) is triethoxy-[(E)-3-ethoxyprop-1-enyl]silane.
What is the SMILES notation for triethoxy-[(E)-3-ethoxyprop-1-enyl]silane?
The canonical SMILES for triethoxy-[(E)-3-ethoxyprop-1-enyl]silane is CCOC/C=C/[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[(E)-3-ethoxyprop-1-enyl]silane?
The InChIKey is AKQJGFYKAFAXBB-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4/h9,11H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of triethoxy-[(E)-3-ethoxyprop-1-enyl]silane?
triethoxy-[(E)-3-ethoxyprop-1-enyl]silane has a molecular weight of 248.39 g/mol, XLogP of 2.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(E)-3-ethoxyprop-1-enyl]silane is sourced from PubChem (CID 12980545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).