About but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane
but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane (PubChem CID 87173182) has the molecular formula C12H28OSi2
and a molecular weight of 244.53 g/mol. Its IUPAC name is but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane.
Molecular Properties
| Compound Name | but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane |
| PubChem CID | 87173182 |
| Molecular Formula | C12H28OSi2 |
| Molecular Weight | 244.53 g/mol |
| Exact Mass | 244.17 |
| IUPAC Name | but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane |
| SMILES | C=C(CC)[Si](C)(CCC)O[Si](C)(C)CC |
| InChI | InChI=1S/C12H28OSi2/c1-8-11-15(7,12(4)9-2)13-14(5,6)10-3/h4,8-11H2,1-3,5-7H3 |
| InChIKey | QCKOYQWKGRCOQK-UHFFFAOYSA-N |
| XLogP | 4.72 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 244.53 |
| LogP ≤ 5 | 4.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
The IUPAC name of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane (CID 87173182) is but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane.
What is the SMILES notation for but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
The canonical SMILES for but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane is C=C(CC)[Si](C)(CCC)O[Si](C)(C)CC.
What is the InChIKey of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
The InChIKey is QCKOYQWKGRCOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi2/c1-8-11-15(7,12(4)9-2)13-14(5,6)10-3/h4,8-11H2,1-3,5-7H3.
What are the key properties of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane has a molecular weight of 244.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane is sourced from PubChem (CID 87173182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).