About 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate
2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate (PubChem CID 59305886) has the molecular formula C22H46O8S2Si2
and a molecular weight of 558.91 g/mol. Its IUPAC name is 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate.
Molecular Properties
| Compound Name | 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate |
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| PubChem CID | 59305886 |
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| Molecular Formula | C22H46O8S2Si2 |
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| Molecular Weight | 558.91 g/mol |
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| Exact Mass | 558.22 |
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| IUPAC Name | 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate |
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| SMILES | CO[Si](C)(CCCSCC(C)C(=O)OCCOC(=O)C(C)CSCCC[Si](C)(OC)OC)OC |
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| InChI | InChI=1S/C22H46O8S2Si2/c1-19(17-31-13-9-15-33(7,25-3)26-4)21(23)29-11-12-30-22(24)20(2)18-32-14-10-16-34(8,27-5)28-6/h19-20H,9-18H2,1-8H3 |
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| InChIKey | HIZFXLINKCOXPL-UHFFFAOYSA-N |
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| XLogP | 4.32 |
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| TPSA | 89.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 558.91 |
| LogP ≤ 5 | 4.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
The IUPAC name of 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate (CID 59305886) is 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate.
What is the SMILES notation for 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
The canonical SMILES for 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate is CO[Si](C)(CCCSCC(C)C(=O)OCCOC(=O)C(C)CSCCC[Si](C)(OC)OC)OC.
What is the InChIKey of 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
The InChIKey is HIZFXLINKCOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O8S2Si2/c1-19(17-31-13-9-15-33(7,25-3)26-4)21(23)29-11-12-30-22(24)20(2)18-32-14-10-16-34(8,27-5)28-6/h19-20H,9-18H2,1-8H3.
What are the key properties of 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate?
2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate has a molecular weight of 558.91 g/mol, XLogP of 4.32, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate is sourced from PubChem (CID 59305886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).