calcium;sodium;trihydroxy(trioxidosilyloxy)silane

H3CaNaO7Si2 — CID 161355913

IUPACcalcium;sodium;trihydroxy(trioxidosilyloxy)silane
SMILES[Ca+2].[Na+].[O-][Si]([O-])([O-])O[Si](O)(O)O
InChIInChI=1S/Ca.Na.H3O7Si2/c;;1-8(2,3)7-9(4,5)6/h;;1-3H/q+2;+1;-3
InChIKeyVONPVQKZXGNPRN-UHFFFAOYSA-N
MW234.26 g/mol
LogP-9.44
Rot. Bonds2

About calcium;sodium;trihydroxy(trioxidosilyloxy)silane

calcium;sodium;trihydroxy(trioxidosilyloxy)silane (PubChem CID 161355913) has the molecular formula H3CaNaO7Si2 and a molecular weight of 234.26 g/mol. Its IUPAC name is calcium;sodium;trihydroxy(trioxidosilyloxy)silane.

Molecular Properties

Compound Namecalcium;sodium;trihydroxy(trioxidosilyloxy)silane
PubChem CID161355913
Molecular FormulaH3CaNaO7Si2
Molecular Weight234.26 g/mol
Exact Mass233.89
IUPAC Namecalcium;sodium;trihydroxy(trioxidosilyloxy)silane
SMILES[Ca+2].[Na+].[O-][Si]([O-])([O-])O[Si](O)(O)O
InChIInChI=1S/Ca.Na.H3O7Si2/c;;1-8(2,3)7-9(4,5)6/h;;1-3H/q+2;+1;-3
InChIKeyVONPVQKZXGNPRN-UHFFFAOYSA-N
XLogP-9.44
TPSA139.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-9.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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;trihydroxy(trioxidosilyloxy)silane?
The IUPAC name of calcium;sodium;trihydroxy(trioxidosilyloxy)silane (CID 161355913) is calcium;sodium;trihydroxy(trioxidosilyloxy)silane.
What is the SMILES notation for calcium;sodium;trihydroxy(trioxidosilyloxy)silane?
The canonical SMILES for calcium;sodium;trihydroxy(trioxidosilyloxy)silane is [Ca+2].[Na+].[O-][Si]([O-])([O-])O[Si](O)(O)O.
What is the InChIKey of calcium;sodium;trihydroxy(trioxidosilyloxy)silane?
The InChIKey is VONPVQKZXGNPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Na.H3O7Si2/c;;1-8(2,3)7-9(4,5)6/h;;1-3H/q+2;+1;-3.
What are the key properties of calcium;sodium;trihydroxy(trioxidosilyloxy)silane?
calcium;sodium;trihydroxy(trioxidosilyloxy)silane has a molecular weight of 234.26 g/mol, XLogP of -9.44, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;trihydroxy(trioxidosilyloxy)silane is sourced from PubChem (CID 161355913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).