About CID 10952854
CID 10952854 (PubChem CID 10952854) has the molecular formula C21H26O5P2W2+2
and a molecular weight of 788.06 g/mol.
Molecular Properties
| Compound Name | CID 10952854 |
|---|
| PubChem CID | 10952854 |
|---|
| Molecular Formula | C21H26O5P2W2+2 |
|---|
| Molecular Weight | 788.06 g/mol |
|---|
| Exact Mass | 788.03 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CP(C)C.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.[W+2].[W] |
|---|
| InChI | InChI=1S/C10H8.2C3H9P.5CO.2W/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-4(2)3;5*1-2;;/h1-8H;2*1-3H3;;;;;;;/q;;;;;;;;;+2 |
|---|
| InChIKey | WTVIMTIGJWYSAE-UHFFFAOYSA-N |
|---|
| XLogP | 4.32 |
|---|
| TPSA | 99.50 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 1 |
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| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 788.06 |
| LogP ≤ 5 | 4.32 |
| 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 10952854?
The IUPAC name of CID 10952854 (CID 10952854) is not available.
What is the SMILES notation for CID 10952854?
The canonical SMILES for CID 10952854 is CP(C)C.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.[W+2].[W].
What is the InChIKey of CID 10952854?
The InChIKey is WTVIMTIGJWYSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C3H9P.5CO.2W/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-4(2)3;5*1-2;;/h1-8H;2*1-3H3;;;;;;;/q;;;;;;;;;+2.
What are the key properties of CID 10952854?
CID 10952854 has a molecular weight of 788.06 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10952854 is sourced from PubChem (CID 10952854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).