About methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 157112368) has the molecular formula C32H74O7Si4
and a molecular weight of 683.28 g/mol. Its IUPAC name is methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.
Molecular Properties
| Compound Name | methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate |
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| PubChem CID | 157112368 |
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| Molecular Formula | C32H74O7Si4 |
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| Molecular Weight | 683.28 g/mol |
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| Exact Mass | 682.45 |
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| IUPAC Name | methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate |
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| SMILES | C.CC(C)(C)[Si](C)(C)O[C@H](CO)CC(=O)OCC[Si](C)(C)C.CC[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C16H36O3Si2.C15H34O4Si2.CH4/c1-10-14(19-21(8,9)16(2,3)4)13-15(17)18-11-12-20(5,6)7;1-15(2,3)21(7,8)19-13(12-16)11-14(17)18-9-10-20(4,5)6;/h14H,10-13H2,1-9H3;13,16H,9-12H2,1-8H3;1H4/t14-;13-;/m10./s1 |
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| InChIKey | AGZRJKDMVWOFQC-STWXNNHTSA-N |
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| XLogP | 9.34 |
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| TPSA | 91.29 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 16 |
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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 | 683.28 |
| LogP ≤ 5 | 9.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate with MolForge
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Frequently Asked Questions
What is the IUPAC name of methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 157112368) is methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is C.CC(C)(C)[Si](C)(C)O[C@H](CO)CC(=O)OCC[Si](C)(C)C.CC[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is AGZRJKDMVWOFQC-STWXNNHTSA-N. The full InChI is InChI=1S/C16H36O3Si2.C15H34O4Si2.CH4/c1-10-14(19-21(8,9)16(2,3)4)13-15(17)18-11-12-20(5,6)7;1-15(2,3)21(7,8)19-13(12-16)11-14(17)18-9-10-20(4,5)6;/h14H,10-13H2,1-9H3;13,16H,9-12H2,1-8H3;1H4/t14-;13-;/m10./s1.
What are the key properties of methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 683.28 g/mol, XLogP of 9.34, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 157112368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).