About (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal (PubChem CID 177230546) has the molecular formula C10H20O2Si
and a molecular weight of 202.37 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal.
Molecular Properties
| Compound Name | (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal |
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| PubChem CID | 177230546 |
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| Molecular Formula | C10H20O2Si |
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| Molecular Weight | 202.37 g/mol |
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| Exact Mass | 202.14 |
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| IUPAC Name | (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal |
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| SMILES | [2H]/C(C=O)=C(/[2H])CO[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h6-8H,9H2,1-5H3/b7-6+/i6D,7D |
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| InChIKey | BADHMODJCDIXIE-ITRJFYCISA-N |
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| XLogP | 2.76 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 202.37 |
| LogP ≤ 5 | 2.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal (CID 177230546) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal is [2H]/C(C=O)=C(/[2H])CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal?
The InChIKey is BADHMODJCDIXIE-ITRJFYCISA-N. The full InChI is InChI=1S/C10H20O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h6-8H,9H2,1-5H3/b7-6+/i6D,7D.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal has a molecular weight of 202.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal is sourced from PubChem (CID 177230546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).