calcium;dioxido(oxo)silane;dihydrate

H4CaO5Si — CID 22597165

IUPACcalcium;dioxido(oxo)silane;dihydrate
SMILESO.O.O=[Si]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.O3Si.2H2O/c;1-4(2)3;;/h;;2*1H2/q+2;-2;;
InChIKeyMDPOLDSEZLPECD-UHFFFAOYSA-N
MW152.19 g/mol
LogP-4.91
Rot. Bonds

About calcium;dioxido(oxo)silane;dihydrate

calcium;dioxido(oxo)silane;dihydrate (PubChem CID 22597165) has the molecular formula H4CaO5Si and a molecular weight of 152.19 g/mol. Its IUPAC name is calcium;dioxido(oxo)silane;dihydrate.

Molecular Properties

Compound Namecalcium;dioxido(oxo)silane;dihydrate
PubChem CID22597165
Molecular FormulaH4CaO5Si
Molecular Weight152.19 g/mol
Exact Mass151.95
IUPAC Namecalcium;dioxido(oxo)silane;dihydrate
SMILESO.O.O=[Si]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.O3Si.2H2O/c;1-4(2)3;;/h;;2*1H2/q+2;-2;;
InChIKeyMDPOLDSEZLPECD-UHFFFAOYSA-N
XLogP-4.91
TPSA126.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-4.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;dioxido(oxo)silane;dihydrate?
The IUPAC name of calcium;dioxido(oxo)silane;dihydrate (CID 22597165) is calcium;dioxido(oxo)silane;dihydrate.
What is the SMILES notation for calcium;dioxido(oxo)silane;dihydrate?
The canonical SMILES for calcium;dioxido(oxo)silane;dihydrate is O.O.O=[Si]([O-])[O-].[Ca+2].
What is the InChIKey of calcium;dioxido(oxo)silane;dihydrate?
The InChIKey is MDPOLDSEZLPECD-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O3Si.2H2O/c;1-4(2)3;;/h;;2*1H2/q+2;-2;;.
What are the key properties of calcium;dioxido(oxo)silane;dihydrate?
calcium;dioxido(oxo)silane;dihydrate has a molecular weight of 152.19 g/mol, XLogP of -4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dioxido(oxo)silane;dihydrate is sourced from PubChem (CID 22597165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).