Calcium phosphinate

CaO4P2 — CID 24618

IUPAC—
SMILESO=P[O-].O=P[O-].[Ca+2]
InChIInChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2
InChIKeyLITFOGPYONJRNO-UHFFFAOYSA-L
MW166.02 g/mol
LogP-1.27
Rot. Bonds

About Calcium phosphinate

Calcium phosphinate (PubChem CID 24618) has the molecular formula CaO4P2 and a molecular weight of 166.02 g/mol.

Molecular Properties

Compound NameCalcium phosphinate
PubChem CID24618
Molecular FormulaCaO4P2
Molecular Weight166.02 g/mol
Exact Mass165.89
IUPAC Name—
SMILESO=P[O-].O=P[O-].[Ca+2]
InChIInChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2
InChIKeyLITFOGPYONJRNO-UHFFFAOYSA-L
XLogP-1.27
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.02
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Calcium phosphinate?
The IUPAC name of Calcium phosphinate (CID 24618) is not available.
What is the SMILES notation for Calcium phosphinate?
The canonical SMILES for Calcium phosphinate is O=P[O-].O=P[O-].[Ca+2].
What is the InChIKey of Calcium phosphinate?
The InChIKey is LITFOGPYONJRNO-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2.
What are the key properties of Calcium phosphinate?
Calcium phosphinate has a molecular weight of 166.02 g/mol, XLogP of -1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Calcium phosphinate is sourced from PubChem (CID 24618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).