About [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane
[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane (PubChem CID 136865379) has the molecular formula C16H26Si
and a molecular weight of 247.48 g/mol. Its IUPAC name is [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane.
Molecular Properties
| Compound Name | [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane |
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| PubChem CID | 136865379 |
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| Molecular Formula | C16H26Si |
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| Molecular Weight | 247.48 g/mol |
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| Exact Mass | 247.19 |
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| IUPAC Name | [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane |
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| SMILES | [2H][C@H]1CCCCC1[Si](C)(C)CCc1ccccc1 |
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| InChI | InChI=1S/C16H26Si/c1-17(2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3/i11D/t11-,16?/m0/s1 |
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| InChIKey | KGEISZNYPMOFLT-AWIHMGDQSA-N |
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| XLogP | 5.27 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 17 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 247.48 |
| LogP ≤ 5 | 5.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
The IUPAC name of [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane (CID 136865379) is [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane.
What is the SMILES notation for [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
The canonical SMILES for [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane is [2H][C@H]1CCCCC1[Si](C)(C)CCc1ccccc1.
What is the InChIKey of [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
The InChIKey is KGEISZNYPMOFLT-AWIHMGDQSA-N. The full InChI is InChI=1S/C16H26Si/c1-17(2,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3/i11D/t11-,16?/m0/s1.
What are the key properties of [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane?
[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane has a molecular weight of 247.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane is sourced from PubChem (CID 136865379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).