About tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane
tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane (PubChem CID 15123063) has the molecular formula C12H26OSi
and a molecular weight of 214.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane.
Molecular Properties
| Compound Name | tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane |
| PubChem CID | 15123063 |
| Molecular Formula | C12H26OSi |
| Molecular Weight | 214.42 g/mol |
| Exact Mass | 214.18 |
| IUPAC Name | tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane |
| SMILES | CC(C)C/C=C/O[Si](C)(C)C(C)(C)C |
| InChI | InChI=1S/C12H26OSi/c1-11(2)9-8-10-13-14(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3/b10-8+ |
| InChIKey | OZJIIEZPZQTLCP-CSKARUKUSA-N |
| XLogP | 4.57 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.42 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane (CID 15123063) is tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane is CC(C)C/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane?
The InChIKey is OZJIIEZPZQTLCP-CSKARUKUSA-N. The full InChI is InChI=1S/C12H26OSi/c1-11(2)9-8-10-13-14(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3/b10-8+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane has a molecular weight of 214.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane is sourced from PubChem (CID 15123063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).