calcium;dihydroxy(oxo)silane;carbonate

CH2CaO6Si — CID 21288142

IUPACcalcium;dihydroxy(oxo)silane;carbonate
SMILESO=C([O-])[O-].O=[Si](O)O.[Ca+2]
InChIInChI=1S/CH2O3.Ca.H2O3Si/c2-1(3)4;;1-4(2)3/h(H2,2,3,4);;1-2H/q;+2;/p-2
InChIKeyYIUPSTWUIZJNRG-UHFFFAOYSA-L
MW178.18 g/mol
LogP-4.44
Rot. Bonds

About calcium;dihydroxy(oxo)silane;carbonate

calcium;dihydroxy(oxo)silane;carbonate (PubChem CID 21288142) has the molecular formula CH2CaO6Si and a molecular weight of 178.18 g/mol. Its IUPAC name is calcium;dihydroxy(oxo)silane;carbonate.

Molecular Properties

Compound Namecalcium;dihydroxy(oxo)silane;carbonate
PubChem CID21288142
Molecular FormulaCH2CaO6Si
Molecular Weight178.18 g/mol
Exact Mass177.92
IUPAC Namecalcium;dihydroxy(oxo)silane;carbonate
SMILESO=C([O-])[O-].O=[Si](O)O.[Ca+2]
InChIInChI=1S/CH2O3.Ca.H2O3Si/c2-1(3)4;;1-4(2)3/h(H2,2,3,4);;1-2H/q;+2;/p-2
InChIKeyYIUPSTWUIZJNRG-UHFFFAOYSA-L
XLogP-4.44
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-4.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;dihydroxy(oxo)silane;carbonate?
The IUPAC name of calcium;dihydroxy(oxo)silane;carbonate (CID 21288142) is calcium;dihydroxy(oxo)silane;carbonate.
What is the SMILES notation for calcium;dihydroxy(oxo)silane;carbonate?
The canonical SMILES for calcium;dihydroxy(oxo)silane;carbonate is O=C([O-])[O-].O=[Si](O)O.[Ca+2].
What is the InChIKey of calcium;dihydroxy(oxo)silane;carbonate?
The InChIKey is YIUPSTWUIZJNRG-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ca.H2O3Si/c2-1(3)4;;1-4(2)3/h(H2,2,3,4);;1-2H/q;+2;/p-2.
What are the key properties of calcium;dihydroxy(oxo)silane;carbonate?
calcium;dihydroxy(oxo)silane;carbonate has a molecular weight of 178.18 g/mol, XLogP of -4.44, 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;carbonate is sourced from PubChem (CID 21288142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).