About [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane
[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane (PubChem CID 90140963) has the molecular formula C26H62O3Si4
and a molecular weight of 535.12 g/mol. Its IUPAC name is [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane.
Molecular Properties
| Compound Name | [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane |
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| PubChem CID | 90140963 |
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| Molecular Formula | C26H62O3Si4 |
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| Molecular Weight | 535.12 g/mol |
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| Exact Mass | 534.38 |
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| IUPAC Name | [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane |
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| SMILES | CCC(O[Si](C)(C)C(C)(CC)O[Si](C)(C)C)C(C)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)C |
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| InChI | InChI=1S/C26H62O3Si4/c1-18-23(27-33(16,17)25(7,20-3)28-31(11,12)13)24(6,19-2)32(14,15)29-26(21-4,22-5)30(8,9)10/h23H,18-22H2,1-17H3 |
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| InChIKey | XKQOBWILMHQVMQ-UHFFFAOYSA-N |
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| XLogP | 9.37 |
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| TPSA | 27.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 535.12 |
| LogP ≤ 5 | 9.37 |
| 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-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane?
The IUPAC name of [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane (CID 90140963) is [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane.
What is the SMILES notation for [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane?
The canonical SMILES for [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane is CCC(O[Si](C)(C)C(C)(CC)O[Si](C)(C)C)C(C)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)C.
What is the InChIKey of [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane?
The InChIKey is XKQOBWILMHQVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H62O3Si4/c1-18-23(27-33(16,17)25(7,20-3)28-31(11,12)13)24(6,19-2)32(14,15)29-26(21-4,22-5)30(8,9)10/h23H,18-22H2,1-17H3.
What are the key properties of [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane?
[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane has a molecular weight of 535.12 g/mol, XLogP of 9.37, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane is sourced from PubChem (CID 90140963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).