About tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt
tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt (PubChem CID 11768055) has the molecular formula C29H26Co4O13Si
and a molecular weight of 846.33 g/mol. Its IUPAC name is tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt.
Molecular Properties
| Compound Name | tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt |
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| PubChem CID | 11768055 |
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| Molecular Formula | C29H26Co4O13Si |
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| Molecular Weight | 846.33 g/mol |
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| Exact Mass | 845.85 |
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| IUPAC Name | tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt |
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| SMILES | CC(C)(C)[Si](C)(C)OCC1CC#C/C=C\C#CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co] |
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| InChI | InChI=1S/C17H26OSi.12CO.4Co/c1-17(2,3)19(4,5)18-15-16-13-11-9-7-6-8-10-12-14-16;12*1-2;;;;/h6-7,16H,12-15H2,1-5H3;;;;;;;;;;;;;;;;/b7-6-;;;;;;;;;;;;;;;; |
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| InChIKey | FWCHAXWORQZKQU-INYJUGRLSA-N |
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| XLogP | 3.91 |
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| TPSA | 248.03 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 47 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 846.33 |
| LogP ≤ 5 | 3.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt?
The IUPAC name of tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt (CID 11768055) is tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt.
What is the SMILES notation for tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt?
The canonical SMILES for tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt is CC(C)(C)[Si](C)(C)OCC1CC#C/C=C\C#CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co].
What is the InChIKey of tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt?
The InChIKey is FWCHAXWORQZKQU-INYJUGRLSA-N. The full InChI is InChI=1S/C17H26OSi.12CO.4Co/c1-17(2,3)19(4,5)18-15-16-13-11-9-7-6-8-10-12-14-16;12*1-2;;;;/h6-7,16H,12-15H2,1-5H3;;;;;;;;;;;;;;;;/b7-6-;;;;;;;;;;;;;;;;.
What are the key properties of tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt?
tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt has a molecular weight of 846.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane;carbon monoxide;cobalt is sourced from PubChem (CID 11768055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).