About triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane
triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane (PubChem CID 12009141) has the molecular formula C15H32O3Si
and a molecular weight of 288.50 g/mol. Its IUPAC name is triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane.
Molecular Properties
| Compound Name | triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane |
| PubChem CID | 12009141 |
| Molecular Formula | C15H32O3Si |
| Molecular Weight | 288.50 g/mol |
| Exact Mass | 288.21 |
| IUPAC Name | triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane |
| SMILES | CCC1(CO[Si](CC)(CC)CC)COC(C)(C)OC1 |
| InChI | InChI=1S/C15H32O3Si/c1-7-15(11-16-14(5,6)17-12-15)13-18-19(8-2,9-3)10-4/h7-13H2,1-6H3 |
| InChIKey | KEQZWFMTFIMBRS-UHFFFAOYSA-N |
| XLogP | 4.19 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 288.50 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane?
The IUPAC name of triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane (CID 12009141) is triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane.
What is the SMILES notation for triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane?
The canonical SMILES for triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane is CCC1(CO[Si](CC)(CC)CC)COC(C)(C)OC1.
What is the InChIKey of triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane?
The InChIKey is KEQZWFMTFIMBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-7-15(11-16-14(5,6)17-12-15)13-18-19(8-2,9-3)10-4/h7-13H2,1-6H3.
What are the key properties of triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane?
triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane has a molecular weight of 288.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane is sourced from PubChem (CID 12009141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).