CID 159927654

H4BaCaCuO4Si — CID 159927654

IUPAC—
SMILESO[Si](O)(O)O.[Ba].[Ca].[Cu]
InChIInChI=1S/Ba.Ca.Cu.H4O4Si/c;;;1-5(2,3)4/h;;;1-4H
InChIKeyNZFPKMGTVLLDJM-UHFFFAOYSA-N
MW337.07 g/mol
LogP-3.37
Rot. Bonds

About CID 159927654

CID 159927654 (PubChem CID 159927654) has the molecular formula H4BaCaCuO4Si and a molecular weight of 337.07 g/mol.

Molecular Properties

Compound NameCID 159927654
PubChem CID159927654
Molecular FormulaH4BaCaCuO4Si
Molecular Weight337.07 g/mol
Exact Mass336.79
IUPAC Name—
SMILESO[Si](O)(O)O.[Ba].[Ca].[Cu]
InChIInChI=1S/Ba.Ca.Cu.H4O4Si/c;;;1-5(2,3)4/h;;;1-4H
InChIKeyNZFPKMGTVLLDJM-UHFFFAOYSA-N
XLogP-3.37
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.07
LogP ≤ 5-3.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159927654?
The IUPAC name of CID 159927654 (CID 159927654) is not available.
What is the SMILES notation for CID 159927654?
The canonical SMILES for CID 159927654 is O[Si](O)(O)O.[Ba].[Ca].[Cu].
What is the InChIKey of CID 159927654?
The InChIKey is NZFPKMGTVLLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.Cu.H4O4Si/c;;;1-5(2,3)4/h;;;1-4H.
What are the key properties of CID 159927654?
CID 159927654 has a molecular weight of 337.07 g/mol, XLogP of -3.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159927654 is sourced from PubChem (CID 159927654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).