About tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane
tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane (PubChem CID 11097563) has the molecular formula C16H32OSi
and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane.
Molecular Properties
| Compound Name | tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane |
| PubChem CID | 11097563 |
| Molecular Formula | C16H32OSi |
| Molecular Weight | 268.52 g/mol |
| Exact Mass | 268.22 |
| IUPAC Name | tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane |
| SMILES | C#CC[C@H](C)CCCCCO[Si](C)(C)C(C)(C)C |
| InChI | InChI=1S/C16H32OSi/c1-8-12-15(2)13-10-9-11-14-17-18(6,7)16(3,4)5/h1,15H,9-14H2,2-7H3/t15-/m0/s1 |
| InChIKey | UXVCAEQSBMXWOL-HNNXBMFYSA-N |
| XLogP | 5.23 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 268.52 |
| LogP ≤ 5 | 5.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane (CID 11097563) is tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane is C#CC[C@H](C)CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane?
The InChIKey is UXVCAEQSBMXWOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-8-12-15(2)13-10-9-11-14-17-18(6,7)16(3,4)5/h1,15H,9-14H2,2-7H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane?
tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane has a molecular weight of 268.52 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(6R)-6-methylnon-8-ynoxy]silane is sourced from PubChem (CID 11097563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).