About CID 10985047
CID 10985047 (PubChem CID 10985047) has the molecular formula C18H17O5PRuW+
and a molecular weight of 629.21 g/mol.
Molecular Properties
| Compound Name | CID 10985047 |
|---|
| PubChem CID | 10985047 |
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| Molecular Formula | C18H17O5PRuW+ |
|---|
| Molecular Weight | 629.21 g/mol |
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| Exact Mass | 629.94 |
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| IUPAC Name | — |
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| SMILES | CP(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][C]([C]2[CH][CH][CH][CH]2)[CH]1.[Ru+].[W] |
|---|
| InChI | InChI=1S/C10H8.C3H9P.5CO.Ru.W/c1-2-6-9(5-1)10-7-3-4-8-10;1-4(2)3;5*1-2;;/h1-8H;1-3H3;;;;;;;/q;;;;;;;+1; |
|---|
| InChIKey | KKIDPHVFJPUPGC-UHFFFAOYSA-N |
|---|
| XLogP | 2.96 |
|---|
| TPSA | 99.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 26 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 629.21 |
| LogP ≤ 5 | 2.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 10985047?
The IUPAC name of CID 10985047 (CID 10985047) is not available.
What is the SMILES notation for CID 10985047?
The canonical SMILES for CID 10985047 is CP(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][C]([C]2[CH][CH][CH][CH]2)[CH]1.[Ru+].[W].
What is the InChIKey of CID 10985047?
The InChIKey is KKIDPHVFJPUPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C3H9P.5CO.Ru.W/c1-2-6-9(5-1)10-7-3-4-8-10;1-4(2)3;5*1-2;;/h1-8H;1-3H3;;;;;;;/q;;;;;;;+1;.
What are the key properties of CID 10985047?
CID 10985047 has a molecular weight of 629.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10985047 is sourced from PubChem (CID 10985047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).