About 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol
2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol (PubChem CID 18719544) has the molecular formula C12H18O3Si
and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol.
Molecular Properties
| Compound Name | 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol |
| PubChem CID | 18719544 |
| Molecular Formula | C12H18O3Si |
| Molecular Weight | 238.36 g/mol |
| Exact Mass | 238.10 |
| IUPAC Name | 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol |
| SMILES | C=CCO[Si](C)(C)COc1ccccc1O |
| InChI | InChI=1S/C12H18O3Si/c1-4-9-15-16(2,3)10-14-12-8-6-5-7-11(12)13/h4-8,13H,1,9-10H2,2-3H3 |
| InChIKey | HYMKGCGLQSBWES-UHFFFAOYSA-N |
| XLogP | 2.72 |
| TPSA | 38.69 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.36 |
| LogP ≤ 5 | 2.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'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 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
The IUPAC name of 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol (CID 18719544) is 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol.
What is the SMILES notation for 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
The canonical SMILES for 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol is C=CCO[Si](C)(C)COc1ccccc1O.
What is the InChIKey of 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
The InChIKey is HYMKGCGLQSBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-4-9-15-16(2,3)10-14-12-8-6-5-7-11(12)13/h4-8,13H,1,9-10H2,2-3H3.
What are the key properties of 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol has a molecular weight of 238.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol is sourced from PubChem (CID 18719544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).