About [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium (PubChem CID 154709445) has the molecular formula C15H24CrO3Si
and a molecular weight of 332.44 g/mol. Its IUPAC name is [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium.
Molecular Properties
| Compound Name | [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium |
| PubChem CID | 154709445 |
| Molecular Formula | C15H24CrO3Si |
| Molecular Weight | 332.44 g/mol |
| Exact Mass | 332.09 |
| IUPAC Name | [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium |
| SMILES | COC(=[Cr])c1ccc(O[Si](C)(C)C(C)(C)C)cc1OC |
| InChI | InChI=1S/C15H24O3Si.Cr/c1-15(2,3)19(6,7)18-13-9-8-12(11-16-4)14(10-13)17-5;/h8-10H,1-7H3; |
| InChIKey | XRXJYIBYCHBWIW-UHFFFAOYSA-N |
| XLogP | 3.75 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 332.44 |
| LogP ≤ 5 | 3.75 |
| 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 [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium?
The IUPAC name of [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium (CID 154709445) is [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium.
What is the SMILES notation for [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium?
The canonical SMILES for [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium is COC(=[Cr])c1ccc(O[Si](C)(C)C(C)(C)C)cc1OC.
What is the InChIKey of [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium?
The InChIKey is XRXJYIBYCHBWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si.Cr/c1-15(2,3)19(6,7)18-13-9-8-12(11-16-4)14(10-13)17-5;/h8-10H,1-7H3;.
What are the key properties of [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium?
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium has a molecular weight of 332.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium is sourced from PubChem (CID 154709445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).