Unii-9W3UX8K5UQ

H4Ca2O4Si — CID 6335617

IUPAC—
SMILESO[Si](O)(O)O.[Ca].[Ca]
InChIInChI=1S/2Ca.H4O4Si/c;;1-5(2,3)4/h;;1-4H
InChIKeySONHSLRCJYJHQE-UHFFFAOYSA-N
MW176.27 g/mol
LogP-3.37
Rot. Bonds

About Unii-9W3UX8K5UQ

Unii-9W3UX8K5UQ (PubChem CID 6335617) has the molecular formula H4Ca2O4Si and a molecular weight of 176.27 g/mol.

Molecular Properties

Compound NameUnii-9W3UX8K5UQ
PubChem CID6335617
Molecular FormulaH4Ca2O4Si
Molecular Weight176.27 g/mol
Exact Mass175.91
IUPAC Name—
SMILESO[Si](O)(O)O.[Ca].[Ca]
InChIInChI=1S/2Ca.H4O4Si/c;;1-5(2,3)4/h;;1-4H
InChIKeySONHSLRCJYJHQE-UHFFFAOYSA-N
XLogP-3.37
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
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 Unii-9W3UX8K5UQ?
The IUPAC name of Unii-9W3UX8K5UQ (CID 6335617) is not available.
What is the SMILES notation for Unii-9W3UX8K5UQ?
The canonical SMILES for Unii-9W3UX8K5UQ is O[Si](O)(O)O.[Ca].[Ca].
What is the InChIKey of Unii-9W3UX8K5UQ?
The InChIKey is SONHSLRCJYJHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.H4O4Si/c;;1-5(2,3)4/h;;1-4H.
What are the key properties of Unii-9W3UX8K5UQ?
Unii-9W3UX8K5UQ has a molecular weight of 176.27 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 Unii-9W3UX8K5UQ is sourced from PubChem (CID 6335617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).