calcium;oxosilicon(2+);dicarbonate

C2H4CaO7Si — CID 157234636

IUPACcalcium;oxosilicon(2+);dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=[SiH4+2].[Ca+2]
InChIInChI=1S/2CH2O3.Ca.H4OSi/c2*2-1(3)4;;1-2/h2*(H2,2,3,4);;2H4/q;;2*+2/p-4
InChIKeyMGKDPRLVPUAPQR-UHFFFAOYSA-J
MW208.21 g/mol
LogP-6.85
Rot. Bonds

About calcium;oxosilicon(2+);dicarbonate

calcium;oxosilicon(2+);dicarbonate (PubChem CID 157234636) has the molecular formula C2H4CaO7Si and a molecular weight of 208.21 g/mol. Its IUPAC name is calcium;oxosilicon(2+);dicarbonate.

Molecular Properties

Compound Namecalcium;oxosilicon(2+);dicarbonate
PubChem CID157234636
Molecular FormulaC2H4CaO7Si
Molecular Weight208.21 g/mol
Exact Mass207.94
IUPAC Namecalcium;oxosilicon(2+);dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=[SiH4+2].[Ca+2]
InChIInChI=1S/2CH2O3.Ca.H4OSi/c2*2-1(3)4;;1-2/h2*(H2,2,3,4);;2H4/q;;2*+2/p-4
InChIKeyMGKDPRLVPUAPQR-UHFFFAOYSA-J
XLogP-6.85
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-6.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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bis(rhodium(3+));tricarbonate
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Frequently Asked Questions

What is the IUPAC name of calcium;oxosilicon(2+);dicarbonate?
The IUPAC name of calcium;oxosilicon(2+);dicarbonate (CID 157234636) is calcium;oxosilicon(2+);dicarbonate.
What is the SMILES notation for calcium;oxosilicon(2+);dicarbonate?
The canonical SMILES for calcium;oxosilicon(2+);dicarbonate is O=C([O-])[O-].O=C([O-])[O-].O=[SiH4+2].[Ca+2].
What is the InChIKey of calcium;oxosilicon(2+);dicarbonate?
The InChIKey is MGKDPRLVPUAPQR-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH2O3.Ca.H4OSi/c2*2-1(3)4;;1-2/h2*(H2,2,3,4);;2H4/q;;2*+2/p-4.
What are the key properties of calcium;oxosilicon(2+);dicarbonate?
calcium;oxosilicon(2+);dicarbonate has a molecular weight of 208.21 g/mol, XLogP of -6.85, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;oxosilicon(2+);dicarbonate is sourced from PubChem (CID 157234636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).