About CID 11069318
CID 11069318 (PubChem CID 11069318) has the molecular formula C13H18O2Os+
and a molecular weight of 396.52 g/mol.
Molecular Properties
| Compound Name | CID 11069318 |
|---|
| PubChem CID | 11069318 |
|---|
| Molecular Formula | C13H18O2Os+ |
|---|
| Molecular Weight | 396.52 g/mol |
|---|
| Exact Mass | 398.09 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[CH3-].[Os+2] |
|---|
| InChI | InChI=1S/C10H15.2CO.CH3.Os/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;;/h1-5H3;;;1H3;/q;;;-1;+2 |
|---|
| InChIKey | LEHZLVJMIJPIRI-UHFFFAOYSA-N |
|---|
| XLogP | 3.34 |
|---|
| TPSA | 39.80 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 16 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 396.52 |
| LogP ≤ 5 | 3.34 |
| 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'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 11069318?
The IUPAC name of CID 11069318 (CID 11069318) is not available.
What is the SMILES notation for CID 11069318?
The canonical SMILES for CID 11069318 is C[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[CH3-].[Os+2].
What is the InChIKey of CID 11069318?
The InChIKey is LEHZLVJMIJPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CO.CH3.Os/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;;/h1-5H3;;;1H3;/q;;;-1;+2.
What are the key properties of CID 11069318?
CID 11069318 has a molecular weight of 396.52 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11069318 is sourced from PubChem (CID 11069318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).