About decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane
decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane (PubChem CID 90222308) has the molecular formula C35H80O3Si4
and a molecular weight of 661.37 g/mol. Its IUPAC name is decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane.
Molecular Properties
| Compound Name | decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane |
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| PubChem CID | 90222308 |
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| Molecular Formula | C35H80O3Si4 |
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| Molecular Weight | 661.37 g/mol |
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| Exact Mass | 660.52 |
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| IUPAC Name | decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane |
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| SMILES | CCCCCCCCCC[Si](C)(OC(C)(CC)[Si](C)(C)C)C(C)(CC)C(CC)O[Si](C)(C)C(CC)(CC)O[Si](C)(C)C |
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| InChI | InChI=1S/C35H80O3Si4/c1-18-24-25-26-27-28-29-30-31-42(17,37-34(8,21-4)39(9,10)11)33(7,20-3)32(19-2)36-41(15,16)35(22-5,23-6)38-40(12,13)14/h32H,18-31H2,1-17H3 |
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| InChIKey | OEIKILXRBDLGJB-UHFFFAOYSA-N |
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| XLogP | 12.89 |
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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 | 24 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 661.37 |
| LogP ≤ 5 | 12.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane?
The IUPAC name of decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane (CID 90222308) is decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane.
What is the SMILES notation for decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane?
The canonical SMILES for decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane is CCCCCCCCCC[Si](C)(OC(C)(CC)[Si](C)(C)C)C(C)(CC)C(CC)O[Si](C)(C)C(CC)(CC)O[Si](C)(C)C.
What is the InChIKey of decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane?
The InChIKey is OEIKILXRBDLGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H80O3Si4/c1-18-24-25-26-27-28-29-30-31-42(17,37-34(8,21-4)39(9,10)11)33(7,20-3)32(19-2)36-41(15,16)35(22-5,23-6)38-40(12,13)14/h32H,18-31H2,1-17H3.
What are the key properties of decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane?
decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane has a molecular weight of 661.37 g/mol, XLogP of 12.89, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane is sourced from PubChem (CID 90222308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).