About [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane
[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane (PubChem CID 11515682) has the molecular formula C18H38O2Si2
and a molecular weight of 342.67 g/mol. Its IUPAC name is [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane.
Molecular Properties
| Compound Name | [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane |
| PubChem CID | 11515682 |
| Molecular Formula | C18H38O2Si2 |
| Molecular Weight | 342.67 g/mol |
| Exact Mass | 342.24 |
| IUPAC Name | [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane |
| SMILES | C=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=C)O[Si](C)(C)C |
| InChI | InChI=1S/C18H38O2Si2/c1-11-15-17(20-22(12-2,13-3)14-4)18(6,7)16(5)19-21(8,9)10/h11,17H,1,5,12-15H2,2-4,6-10H3/t17-/m1/s1 |
| InChIKey | BHFODKRGBYAOPJ-QGZVFWFLSA-N |
| XLogP | 6.34 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 342.67 |
| LogP ≤ 5 | 6.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', '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 [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
The IUPAC name of [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane (CID 11515682) is [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane.
What is the SMILES notation for [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
The canonical SMILES for [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane is C=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(=C)O[Si](C)(C)C.
What is the InChIKey of [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
The InChIKey is BHFODKRGBYAOPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-11-15-17(20-22(12-2,13-3)14-4)18(6,7)16(5)19-21(8,9)10/h11,17H,1,5,12-15H2,2-4,6-10H3/t17-/m1/s1.
What are the key properties of [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane?
[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane has a molecular weight of 342.67 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane is sourced from PubChem (CID 11515682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).