About tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane
tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane (PubChem CID 15364573) has the molecular formula C18H38OSi2
and a molecular weight of 326.67 g/mol. Its IUPAC name is tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane.
Molecular Properties
| Compound Name | tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane |
| PubChem CID | 15364573 |
| Molecular Formula | C18H38OSi2 |
| Molecular Weight | 326.67 g/mol |
| Exact Mass | 326.25 |
| IUPAC Name | tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane |
| SMILES | CC(C)(C)[Si](C)(C)/C=C1\COCC1C[Si](C)(C)C(C)(C)C |
| InChI | InChI=1S/C18H38OSi2/c1-17(2,3)20(7,8)13-15-11-19-12-16(15)14-21(9,10)18(4,5)6/h13,16H,11-12,14H2,1-10H3/b15-13+ |
| InChIKey | DZIAPGLUBJGOHF-FYWRMAATSA-N |
| XLogP | 6.12 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 326.67 |
| LogP ≤ 5 | 6.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane (CID 15364573) is tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane is CC(C)(C)[Si](C)(C)/C=C1\COCC1C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane?
The InChIKey is DZIAPGLUBJGOHF-FYWRMAATSA-N. The full InChI is InChI=1S/C18H38OSi2/c1-17(2,3)20(7,8)13-15-11-19-12-16(15)14-21(9,10)18(4,5)6/h13,16H,11-12,14H2,1-10H3/b15-13+.
What are the key properties of tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane?
tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane has a molecular weight of 326.67 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4Z)-4-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-3-yl]methyl]-dimethylsilane is sourced from PubChem (CID 15364573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).