About [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane
[(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane (PubChem CID 102487666) has the molecular formula C29H42O2Si2
and a molecular weight of 478.83 g/mol. Its IUPAC name is [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane |
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| PubChem CID | 102487666 |
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| Molecular Formula | C29H42O2Si2 |
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| Molecular Weight | 478.83 g/mol |
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| Exact Mass | 478.27 |
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| IUPAC Name | [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane |
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| SMILES | COc1ccc2c(c1)C(c1ccccc1)=C([Si](C)(C)C)/C(=C/[Si](C(C)C)(C(C)C)C(C)C)O2 |
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| InChI | InChI=1S/C29H42O2Si2/c1-20(2)33(21(3)4,22(5)6)19-27-29(32(8,9)10)28(23-14-12-11-13-15-23)25-18-24(30-7)16-17-26(25)31-27/h11-22H,1-10H3/b27-19- |
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| InChIKey | LSOQPQGGRONUML-DIBXZPPDSA-N |
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| XLogP | 8.87 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 478.83 |
| LogP ≤ 5 | 8.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane (CID 102487666) is [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane is COc1ccc2c(c1)C(c1ccccc1)=C([Si](C)(C)C)/C(=C/[Si](C(C)C)(C(C)C)C(C)C)O2.
What is the InChIKey of [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
The InChIKey is LSOQPQGGRONUML-DIBXZPPDSA-N. The full InChI is InChI=1S/C29H42O2Si2/c1-20(2)33(21(3)4,22(5)6)19-27-29(32(8,9)10)28(23-14-12-11-13-15-23)25-18-24(30-7)16-17-26(25)31-27/h11-22H,1-10H3/b27-19-.
What are the key properties of [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
[(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane has a molecular weight of 478.83 g/mol, XLogP of 8.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(6-methoxy-4-phenyl-3-trimethylsilylchromen-2-ylidene)methyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102487666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).