About but-3-enoxy-dimethyl-octoxysilane
but-3-enoxy-dimethyl-octoxysilane (PubChem CID 91735257) has the molecular formula C14H30O2Si
and a molecular weight of 258.48 g/mol. Its IUPAC name is but-3-enoxy-dimethyl-octoxysilane.
Molecular Properties
| Compound Name | but-3-enoxy-dimethyl-octoxysilane |
| PubChem CID | 91735257 |
| Molecular Formula | C14H30O2Si |
| Molecular Weight | 258.48 g/mol |
| Exact Mass | 258.20 |
| IUPAC Name | but-3-enoxy-dimethyl-octoxysilane |
| SMILES | C=CCCO[Si](C)(C)OCCCCCCCC |
| InChI | InChI=1S/C14H30O2Si/c1-5-7-9-10-11-12-14-16-17(3,4)15-13-8-6-2/h6H,2,5,7-14H2,1,3-4H3 |
| InChIKey | WXERAOBKIAVRGG-UHFFFAOYSA-N |
| XLogP | 4.66 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 258.48 |
| LogP ≤ 5 | 4.66 |
| H-Bond Donors ≤ 5 | 0 |
| 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': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of but-3-enoxy-dimethyl-octoxysilane?
The IUPAC name of but-3-enoxy-dimethyl-octoxysilane (CID 91735257) is but-3-enoxy-dimethyl-octoxysilane.
What is the SMILES notation for but-3-enoxy-dimethyl-octoxysilane?
The canonical SMILES for but-3-enoxy-dimethyl-octoxysilane is C=CCCO[Si](C)(C)OCCCCCCCC.
What is the InChIKey of but-3-enoxy-dimethyl-octoxysilane?
The InChIKey is WXERAOBKIAVRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-7-9-10-11-12-14-16-17(3,4)15-13-8-6-2/h6H,2,5,7-14H2,1,3-4H3.
What are the key properties of but-3-enoxy-dimethyl-octoxysilane?
but-3-enoxy-dimethyl-octoxysilane has a molecular weight of 258.48 g/mol, XLogP of 4.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy-dimethyl-octoxysilane is sourced from PubChem (CID 91735257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).