calcium;dihydroxy(oxo)silane;dioxido(oxo)silane

H2CaO6Si2 — CID 173037415

IUPACcalcium;dihydroxy(oxo)silane;dioxido(oxo)silane
SMILESO=[Si](O)O.O=[Si]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.H2O3Si.O3Si/c;2*1-4(2)3/h;1-2H;/q+2;;-2
InChIKeyAJJFENWHVFGXFK-UHFFFAOYSA-N
MW194.26 g/mol
LogP-4.87
Rot. Bonds

About calcium;dihydroxy(oxo)silane;dioxido(oxo)silane

calcium;dihydroxy(oxo)silane;dioxido(oxo)silane (PubChem CID 173037415) has the molecular formula H2CaO6Si2 and a molecular weight of 194.26 g/mol. Its IUPAC name is calcium;dihydroxy(oxo)silane;dioxido(oxo)silane.

Molecular Properties

Compound Namecalcium;dihydroxy(oxo)silane;dioxido(oxo)silane
PubChem CID173037415
Molecular FormulaH2CaO6Si2
Molecular Weight194.26 g/mol
Exact Mass193.90
IUPAC Namecalcium;dihydroxy(oxo)silane;dioxido(oxo)silane
SMILESO=[Si](O)O.O=[Si]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.H2O3Si.O3Si/c;2*1-4(2)3/h;1-2H;/q+2;;-2
InChIKeyAJJFENWHVFGXFK-UHFFFAOYSA-N
XLogP-4.87
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-4.87
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;dihydroxy(oxo)silane;dioxido(oxo)silane?
The IUPAC name of calcium;dihydroxy(oxo)silane;dioxido(oxo)silane (CID 173037415) is calcium;dihydroxy(oxo)silane;dioxido(oxo)silane.
What is the SMILES notation for calcium;dihydroxy(oxo)silane;dioxido(oxo)silane?
The canonical SMILES for calcium;dihydroxy(oxo)silane;dioxido(oxo)silane is O=[Si](O)O.O=[Si]([O-])[O-].[Ca+2].
What is the InChIKey of calcium;dihydroxy(oxo)silane;dioxido(oxo)silane?
The InChIKey is AJJFENWHVFGXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H2O3Si.O3Si/c;2*1-4(2)3/h;1-2H;/q+2;;-2.
What are the key properties of calcium;dihydroxy(oxo)silane;dioxido(oxo)silane?
calcium;dihydroxy(oxo)silane;dioxido(oxo)silane has a molecular weight of 194.26 g/mol, XLogP of -4.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dihydroxy(oxo)silane;dioxido(oxo)silane is sourced from PubChem (CID 173037415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).