About triethyl-(1-methoxy-3-methylbut-2-enyl)silane
triethyl-(1-methoxy-3-methylbut-2-enyl)silane (PubChem CID 10262704) has the molecular formula C12H26OSi
and a molecular weight of 214.42 g/mol. Its IUPAC name is triethyl-(1-methoxy-3-methylbut-2-enyl)silane.
Molecular Properties
| Compound Name | triethyl-(1-methoxy-3-methylbut-2-enyl)silane |
| PubChem CID | 10262704 |
| Molecular Formula | C12H26OSi |
| Molecular Weight | 214.42 g/mol |
| Exact Mass | 214.18 |
| IUPAC Name | triethyl-(1-methoxy-3-methylbut-2-enyl)silane |
| SMILES | CC[Si](CC)(CC)C(C=C(C)C)OC |
| InChI | InChI=1S/C12H26OSi/c1-7-14(8-2,9-3)12(13-6)10-11(4)5/h10,12H,7-9H2,1-6H3 |
| InChIKey | HUBBFQABEVNTSR-UHFFFAOYSA-N |
| XLogP | 4.02 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.42 |
| LogP ≤ 5 | 4.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze triethyl-(1-methoxy-3-methylbut-2-enyl)silane 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 triethyl-(1-methoxy-3-methylbut-2-enyl)silane?
The IUPAC name of triethyl-(1-methoxy-3-methylbut-2-enyl)silane (CID 10262704) is triethyl-(1-methoxy-3-methylbut-2-enyl)silane.
What is the SMILES notation for triethyl-(1-methoxy-3-methylbut-2-enyl)silane?
The canonical SMILES for triethyl-(1-methoxy-3-methylbut-2-enyl)silane is CC[Si](CC)(CC)C(C=C(C)C)OC.
What is the InChIKey of triethyl-(1-methoxy-3-methylbut-2-enyl)silane?
The InChIKey is HUBBFQABEVNTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-7-14(8-2,9-3)12(13-6)10-11(4)5/h10,12H,7-9H2,1-6H3.
What are the key properties of triethyl-(1-methoxy-3-methylbut-2-enyl)silane?
triethyl-(1-methoxy-3-methylbut-2-enyl)silane has a molecular weight of 214.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(1-methoxy-3-methylbut-2-enyl)silane is sourced from PubChem (CID 10262704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).