calcium bis(hydroxy-oxido-oxosilane)

H2CaO6Si2 — CID 19845581

IUPACcalcium bis(hydroxy-oxido-oxosilane)
SMILESO=[Si]([O-])O.O=[Si]([O-])O.[Ca+2]
InChIInChI=1S/Ca.2HO3Si/c;2*1-4(2)3/h;2*1H/q+2;2*-1
InChIKeyLWBHFENRDNKOJY-UHFFFAOYSA-N
MW194.26 g/mol
LogP-4.87
Rot. Bonds

About calcium bis(hydroxy-oxido-oxosilane)

calcium bis(hydroxy-oxido-oxosilane) (PubChem CID 19845581) has the molecular formula H2CaO6Si2 and a molecular weight of 194.26 g/mol. Its IUPAC name is calcium bis(hydroxy-oxido-oxosilane).

Molecular Properties

Compound Namecalcium bis(hydroxy-oxido-oxosilane)
PubChem CID19845581
Molecular FormulaH2CaO6Si2
Molecular Weight194.26 g/mol
Exact Mass193.90
IUPAC Namecalcium bis(hydroxy-oxido-oxosilane)
SMILESO=[Si]([O-])O.O=[Si]([O-])O.[Ca+2]
InChIInChI=1S/Ca.2HO3Si/c;2*1-4(2)3/h;2*1H/q+2;2*-1
InChIKeyLWBHFENRDNKOJY-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 bis(hydroxy-oxido-oxosilane)?
The IUPAC name of calcium bis(hydroxy-oxido-oxosilane) (CID 19845581) is calcium bis(hydroxy-oxido-oxosilane).
What is the SMILES notation for calcium bis(hydroxy-oxido-oxosilane)?
The canonical SMILES for calcium bis(hydroxy-oxido-oxosilane) is O=[Si]([O-])O.O=[Si]([O-])O.[Ca+2].
What is the InChIKey of calcium bis(hydroxy-oxido-oxosilane)?
The InChIKey is LWBHFENRDNKOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2HO3Si/c;2*1-4(2)3/h;2*1H/q+2;2*-1.
What are the key properties of calcium bis(hydroxy-oxido-oxosilane)?
calcium bis(hydroxy-oxido-oxosilane) 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 bis(hydroxy-oxido-oxosilane) is sourced from PubChem (CID 19845581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).