About triethoxy(4-methylidenehexyl)silane
triethoxy(4-methylidenehexyl)silane (PubChem CID 87112379) has the molecular formula C13H28O3Si
and a molecular weight of 260.45 g/mol. Its IUPAC name is triethoxy(4-methylidenehexyl)silane.
Molecular Properties
| Compound Name | triethoxy(4-methylidenehexyl)silane |
| PubChem CID | 87112379 |
| Molecular Formula | C13H28O3Si |
| Molecular Weight | 260.45 g/mol |
| Exact Mass | 260.18 |
| IUPAC Name | triethoxy(4-methylidenehexyl)silane |
| SMILES | C=C(CC)CCC[Si](OCC)(OCC)OCC |
| InChI | InChI=1S/C13H28O3Si/c1-6-13(5)11-10-12-17(14-7-2,15-8-3)16-9-4/h5-12H2,1-4H3 |
| InChIKey | GCZQRQNNGCWOKZ-UHFFFAOYSA-N |
| XLogP | 3.78 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 260.45 |
| LogP ≤ 5 | 3.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of triethoxy(4-methylidenehexyl)silane?
The IUPAC name of triethoxy(4-methylidenehexyl)silane (CID 87112379) is triethoxy(4-methylidenehexyl)silane.
What is the SMILES notation for triethoxy(4-methylidenehexyl)silane?
The canonical SMILES for triethoxy(4-methylidenehexyl)silane is C=C(CC)CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(4-methylidenehexyl)silane?
The InChIKey is GCZQRQNNGCWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-13(5)11-10-12-17(14-7-2,15-8-3)16-9-4/h5-12H2,1-4H3.
What are the key properties of triethoxy(4-methylidenehexyl)silane?
triethoxy(4-methylidenehexyl)silane has a molecular weight of 260.45 g/mol, XLogP of 3.78, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(4-methylidenehexyl)silane is sourced from PubChem (CID 87112379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).