About CID 136901399
CID 136901399 (PubChem CID 136901399) has the molecular formula C24H51GeO9
and a molecular weight of 556.27 g/mol.
Molecular Properties
| Compound Name | CID 136901399 |
| PubChem CID | 136901399 |
| Molecular Formula | C24H51GeO9 |
| Molecular Weight | 556.27 g/mol |
| Exact Mass | 557.27 |
| IUPAC Name | — |
| SMILES | COCCOCCOCCC[Ge](CCCOCCOCCOC)CCCOCCOCCOC |
| InChI | InChI=1S/C24H51GeO9/c1-26-13-16-32-22-19-29-10-4-7-25(8-5-11-30-20-23-33-17-14-27-2)9-6-12-31-21-24-34-18-15-28-3/h4-24H2,1-3H3 |
| InChIKey | AGHFNTOWXGPCQR-UHFFFAOYSA-N |
| XLogP | 2.69 |
| TPSA | 83.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 34 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 556.27 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 136901399?
The IUPAC name of CID 136901399 (CID 136901399) is not available.
What is the SMILES notation for CID 136901399?
The canonical SMILES for CID 136901399 is COCCOCCOCCC[Ge](CCCOCCOCCOC)CCCOCCOCCOC.
What is the InChIKey of CID 136901399?
The InChIKey is AGHFNTOWXGPCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51GeO9/c1-26-13-16-32-22-19-29-10-4-7-25(8-5-11-30-20-23-33-17-14-27-2)9-6-12-31-21-24-34-18-15-28-3/h4-24H2,1-3H3.
What are the key properties of CID 136901399?
CID 136901399 has a molecular weight of 556.27 g/mol, XLogP of 2.69, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136901399 is sourced from PubChem (CID 136901399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).