About [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane
[1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 173103698) has the molecular formula C20H37BrO2Si
and a molecular weight of 417.50 g/mol. Its IUPAC name is [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane.
Molecular Properties
| Compound Name | [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane |
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| PubChem CID | 173103698 |
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| Molecular Formula | C20H37BrO2Si |
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| Molecular Weight | 417.50 g/mol |
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| Exact Mass | 416.17 |
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| IUPAC Name | [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane |
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| SMILES | C=C(CBr)CC(C)CC1CC=CC(CCOCC(C)(C)[SiH](C)C)O1 |
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| InChI | InChI=1S/C20H37BrO2Si/c1-16(12-17(2)14-21)13-19-9-7-8-18(23-19)10-11-22-15-20(3,4)24(5)6/h7-8,16,18-19,24H,2,9-15H2,1,3-6H3 |
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| InChIKey | PRPPWCPLKVKFNQ-UHFFFAOYSA-N |
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| XLogP | 5.74 |
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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 | 11 |
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| Heavy Atoms | 24 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 417.50 |
| LogP ≤ 5 | 5.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane (CID 173103698) is [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane is C=C(CBr)CC(C)CC1CC=CC(CCOCC(C)(C)[SiH](C)C)O1.
What is the InChIKey of [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is PRPPWCPLKVKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37BrO2Si/c1-16(12-17(2)14-21)13-19-9-7-8-18(23-19)10-11-22-15-20(3,4)24(5)6/h7-8,16,18-19,24H,2,9-15H2,1,3-6H3.
What are the key properties of [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane?
[1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 417.50 g/mol, XLogP of 5.74, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 173103698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).