calcium;sodium;dihydroxy(dioxido)silane;fluoride

H2CaFNaO4Si — CID 86173907

IUPACcalcium;sodium;dihydroxy(dioxido)silane;fluoride
SMILES[Ca+2].[F-].[Na+].[O-][Si]([O-])(O)O
InChIInChI=1S/Ca.FH.Na.H2O4Si/c;;;1-5(2,3)4/h;1H;;1-2H/q+2;;+1;-2/p-1
InChIKeyXDPCRZNSIDVKJT-UHFFFAOYSA-M
MW176.16 g/mol
LogP-10.25
Rot. Bonds

About calcium;sodium;dihydroxy(dioxido)silane;fluoride

calcium;sodium;dihydroxy(dioxido)silane;fluoride (PubChem CID 86173907) has the molecular formula H2CaFNaO4Si and a molecular weight of 176.16 g/mol. Its IUPAC name is calcium;sodium;dihydroxy(dioxido)silane;fluoride.

Molecular Properties

Compound Namecalcium;sodium;dihydroxy(dioxido)silane;fluoride
PubChem CID86173907
Molecular FormulaH2CaFNaO4Si
Molecular Weight176.16 g/mol
Exact Mass175.92
IUPAC Namecalcium;sodium;dihydroxy(dioxido)silane;fluoride
SMILES[Ca+2].[F-].[Na+].[O-][Si]([O-])(O)O
InChIInChI=1S/Ca.FH.Na.H2O4Si/c;;;1-5(2,3)4/h;1H;;1-2H/q+2;;+1;-2/p-1
InChIKeyXDPCRZNSIDVKJT-UHFFFAOYSA-M
XLogP-10.25
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 5-10.25
H-Bond Donors ≤ 52
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 calcium;sodium;dihydroxy(dioxido)silane;fluoride?
The IUPAC name of calcium;sodium;dihydroxy(dioxido)silane;fluoride (CID 86173907) is calcium;sodium;dihydroxy(dioxido)silane;fluoride.
What is the SMILES notation for calcium;sodium;dihydroxy(dioxido)silane;fluoride?
The canonical SMILES for calcium;sodium;dihydroxy(dioxido)silane;fluoride is [Ca+2].[F-].[Na+].[O-][Si]([O-])(O)O.
What is the InChIKey of calcium;sodium;dihydroxy(dioxido)silane;fluoride?
The InChIKey is XDPCRZNSIDVKJT-UHFFFAOYSA-M. The full InChI is InChI=1S/Ca.FH.Na.H2O4Si/c;;;1-5(2,3)4/h;1H;;1-2H/q+2;;+1;-2/p-1.
What are the key properties of calcium;sodium;dihydroxy(dioxido)silane;fluoride?
calcium;sodium;dihydroxy(dioxido)silane;fluoride has a molecular weight of 176.16 g/mol, XLogP of -10.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;dihydroxy(dioxido)silane;fluoride is sourced from PubChem (CID 86173907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).