About (E)-4-trihydroxysilylbut-2-en-1-amine
(E)-4-trihydroxysilylbut-2-en-1-amine (PubChem CID 87685667) has the molecular formula C4H11NO3Si
and a molecular weight of 149.22 g/mol. Its IUPAC name is (E)-4-trihydroxysilylbut-2-en-1-amine.
Molecular Properties
| Compound Name | (E)-4-trihydroxysilylbut-2-en-1-amine |
|---|
| PubChem CID | 87685667 |
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| Molecular Formula | C4H11NO3Si |
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| Molecular Weight | 149.22 g/mol |
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| Exact Mass | 149.05 |
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| IUPAC Name | (E)-4-trihydroxysilylbut-2-en-1-amine |
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| SMILES | NC/C=C/C[Si](O)(O)O |
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| InChI | InChI=1S/C4H11NO3Si/c5-3-1-2-4-9(6,7)8/h1-2,6-8H,3-5H2/b2-1+ |
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| InChIKey | KRAXMKPRNBZPIW-OWOJBTEDSA-N |
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| XLogP | -1.58 |
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| TPSA | 86.71 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 149.22 |
| LogP ≤ 5 | -1.58 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-4-trihydroxysilylbut-2-en-1-amine?
The IUPAC name of (E)-4-trihydroxysilylbut-2-en-1-amine (CID 87685667) is (E)-4-trihydroxysilylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-trihydroxysilylbut-2-en-1-amine?
The canonical SMILES for (E)-4-trihydroxysilylbut-2-en-1-amine is NC/C=C/C[Si](O)(O)O.
What is the InChIKey of (E)-4-trihydroxysilylbut-2-en-1-amine?
The InChIKey is KRAXMKPRNBZPIW-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H11NO3Si/c5-3-1-2-4-9(6,7)8/h1-2,6-8H,3-5H2/b2-1+.
What are the key properties of (E)-4-trihydroxysilylbut-2-en-1-amine?
(E)-4-trihydroxysilylbut-2-en-1-amine has a molecular weight of 149.22 g/mol, XLogP of -1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-trihydroxysilylbut-2-en-1-amine is sourced from PubChem (CID 87685667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).