About 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate
1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate (PubChem CID 121235918) has the molecular formula C32H72O7Si4
and a molecular weight of 681.27 g/mol. Its IUPAC name is 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate.
Molecular Properties
| Compound Name | 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate |
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| PubChem CID | 121235918 |
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| Molecular Formula | C32H72O7Si4 |
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| Molecular Weight | 681.27 g/mol |
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| Exact Mass | 680.44 |
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| IUPAC Name | 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate |
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| SMILES | CCCCCCCCCCCCCCCC(C)C(=O)OC(C)COCCO[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C |
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| InChI | InChI=1S/C32H72O7Si4/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(2)32(33)36-31(3)29-34-27-28-35-43(12,38-41(7,8)9)39-42(10,11)37-40(4,5)6/h30-31H,13-29H2,1-12H3 |
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| InChIKey | ACCPCHOPPIUHIG-UHFFFAOYSA-N |
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| XLogP | 10.06 |
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| TPSA | 72.45 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 28 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 681.27 |
| LogP ≤ 5 | 10.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate?
The IUPAC name of 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate (CID 121235918) is 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate.
What is the SMILES notation for 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate?
The canonical SMILES for 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate is CCCCCCCCCCCCCCCC(C)C(=O)OC(C)COCCO[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate?
The InChIKey is ACCPCHOPPIUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72O7Si4/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(2)32(33)36-31(3)29-34-27-28-35-43(12,38-41(7,8)9)39-42(10,11)37-40(4,5)6/h30-31H,13-29H2,1-12H3.
What are the key properties of 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate?
1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate has a molecular weight of 681.27 g/mol, XLogP of 10.06, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate is sourced from PubChem (CID 121235918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).