About 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one
7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one (PubChem CID 67381903) has the molecular formula C30H42N2O4Si
and a molecular weight of 522.76 g/mol. Its IUPAC name is 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one.
Molecular Properties
| Compound Name | 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one |
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| PubChem CID | 67381903 |
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| Molecular Formula | C30H42N2O4Si |
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| Molecular Weight | 522.76 g/mol |
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| Exact Mass | 522.29 |
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| IUPAC Name | 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one |
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| SMILES | CC1(CCCCCCC(=O)c2nc(-c3ccc4ccccc4c3)cn2COCC[Si](C)(C)C)OCCO1 |
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| InChI | InChI=1S/C30H42N2O4Si/c1-30(35-17-18-36-30)16-10-6-5-7-13-28(33)29-31-27(22-32(29)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22H,5-7,10,13,16-20,23H2,1-4H3 |
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| InChIKey | KPZZGVBTPTXKPA-UHFFFAOYSA-N |
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| XLogP | 7.30 |
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| TPSA | 62.58 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 522.76 |
| LogP ≤ 5 | 7.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one?
The IUPAC name of 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one (CID 67381903) is 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one.
What is the SMILES notation for 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one?
The canonical SMILES for 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one is CC1(CCCCCCC(=O)c2nc(-c3ccc4ccccc4c3)cn2COCC[Si](C)(C)C)OCCO1.
What is the InChIKey of 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one?
The InChIKey is KPZZGVBTPTXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O4Si/c1-30(35-17-18-36-30)16-10-6-5-7-13-28(33)29-31-27(22-32(29)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22H,5-7,10,13,16-20,23H2,1-4H3.
What are the key properties of 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one?
7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one has a molecular weight of 522.76 g/mol, XLogP of 7.30, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-one is sourced from PubChem (CID 67381903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).