calcium;sodium;tris(hydroxy-oxido-oxosilane)

H3CaNaO9Si3 — CID 173086354

IUPACcalcium;sodium;tris(hydroxy-oxido-oxosilane)
SMILESO=[Si]([O-])O.O=[Si]([O-])O.O=[Si]([O-])O.[Ca+2].[Na+]
InChIInChI=1S/Ca.Na.3HO3Si/c;;3*1-4(2)3/h;;3*1H/q+2;+1;3*-1
InChIKeyWLOPQCDPVOBOTH-UHFFFAOYSA-N
MW294.34 g/mol
LogP-10.11
Rot. Bonds

About calcium;sodium;tris(hydroxy-oxido-oxosilane)

calcium;sodium;tris(hydroxy-oxido-oxosilane) (PubChem CID 173086354) has the molecular formula H3CaNaO9Si3 and a molecular weight of 294.34 g/mol. Its IUPAC name is calcium;sodium;tris(hydroxy-oxido-oxosilane).

Molecular Properties

Compound Namecalcium;sodium;tris(hydroxy-oxido-oxosilane)
PubChem CID173086354
Molecular FormulaH3CaNaO9Si3
Molecular Weight294.34 g/mol
Exact Mass293.86
IUPAC Namecalcium;sodium;tris(hydroxy-oxido-oxosilane)
SMILESO=[Si]([O-])O.O=[Si]([O-])O.O=[Si]([O-])O.[Ca+2].[Na+]
InChIInChI=1S/Ca.Na.3HO3Si/c;;3*1-4(2)3/h;;3*1H/q+2;+1;3*-1
InChIKeyWLOPQCDPVOBOTH-UHFFFAOYSA-N
XLogP-10.11
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-10.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 calcium;sodium;tris(hydroxy-oxido-oxosilane)?
The IUPAC name of calcium;sodium;tris(hydroxy-oxido-oxosilane) (CID 173086354) is calcium;sodium;tris(hydroxy-oxido-oxosilane).
What is the SMILES notation for calcium;sodium;tris(hydroxy-oxido-oxosilane)?
The canonical SMILES for calcium;sodium;tris(hydroxy-oxido-oxosilane) is O=[Si]([O-])O.O=[Si]([O-])O.O=[Si]([O-])O.[Ca+2].[Na+].
What is the InChIKey of calcium;sodium;tris(hydroxy-oxido-oxosilane)?
The InChIKey is WLOPQCDPVOBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Na.3HO3Si/c;;3*1-4(2)3/h;;3*1H/q+2;+1;3*-1.
What are the key properties of calcium;sodium;tris(hydroxy-oxido-oxosilane)?
calcium;sodium;tris(hydroxy-oxido-oxosilane) has a molecular weight of 294.34 g/mol, XLogP of -10.11, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;tris(hydroxy-oxido-oxosilane) is sourced from PubChem (CID 173086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).