About 4-cyclohexylbutoxy(dimethoxy)silane
4-cyclohexylbutoxy(dimethoxy)silane (PubChem CID 150789567) has the molecular formula C12H26O3Si
and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-cyclohexylbutoxy(dimethoxy)silane.
Molecular Properties
| Compound Name | 4-cyclohexylbutoxy(dimethoxy)silane |
| PubChem CID | 150789567 |
| Molecular Formula | C12H26O3Si |
| Molecular Weight | 246.42 g/mol |
| Exact Mass | 246.17 |
| IUPAC Name | 4-cyclohexylbutoxy(dimethoxy)silane |
| SMILES | CO[SiH](OC)OCCCCC1CCCCC1 |
| InChI | InChI=1S/C12H26O3Si/c1-13-16(14-2)15-11-7-6-10-12-8-4-3-5-9-12/h12,16H,3-11H2,1-2H3 |
| InChIKey | KDOIBNQNFXRMTA-UHFFFAOYSA-N |
| XLogP | 2.76 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 246.42 |
| LogP ≤ 5 | 2.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-cyclohexylbutoxy(dimethoxy)silane?
The IUPAC name of 4-cyclohexylbutoxy(dimethoxy)silane (CID 150789567) is 4-cyclohexylbutoxy(dimethoxy)silane.
What is the SMILES notation for 4-cyclohexylbutoxy(dimethoxy)silane?
The canonical SMILES for 4-cyclohexylbutoxy(dimethoxy)silane is CO[SiH](OC)OCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutoxy(dimethoxy)silane?
The InChIKey is KDOIBNQNFXRMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-13-16(14-2)15-11-7-6-10-12-8-4-3-5-9-12/h12,16H,3-11H2,1-2H3.
What are the key properties of 4-cyclohexylbutoxy(dimethoxy)silane?
4-cyclohexylbutoxy(dimethoxy)silane has a molecular weight of 246.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutoxy(dimethoxy)silane is sourced from PubChem (CID 150789567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).