calcium;bis(dichlorophosphinate);tetrahydrate

H8CaCl4O8P2 — CID 90475593

IUPACcalcium;bis(dichlorophosphinate);tetrahydrate
SMILESO.O.O.O.O=P([O-])(Cl)Cl.O=P([O-])(Cl)Cl.[Ca+2]
InChIInChI=1S/Ca.2Cl2HO2P.4H2O/c;2*1-5(2,3)4;;;;/h;2*(H,3,4);4*1H2/q+2;;;;;;/p-2
InChIKeyWOCFGZLMOWLHFB-UHFFFAOYSA-L
MW379.89 g/mol
LogP-1.81
Rot. Bonds

About calcium;bis(dichlorophosphinate);tetrahydrate

calcium;bis(dichlorophosphinate);tetrahydrate (PubChem CID 90475593) has the molecular formula H8CaCl4O8P2 and a molecular weight of 379.89 g/mol. Its IUPAC name is calcium;bis(dichlorophosphinate);tetrahydrate.

Molecular Properties

Compound Namecalcium;bis(dichlorophosphinate);tetrahydrate
PubChem CID90475593
Molecular FormulaH8CaCl4O8P2
Molecular Weight379.89 g/mol
Exact Mass377.81
IUPAC Namecalcium;bis(dichlorophosphinate);tetrahydrate
SMILESO.O.O.O.O=P([O-])(Cl)Cl.O=P([O-])(Cl)Cl.[Ca+2]
InChIInChI=1S/Ca.2Cl2HO2P.4H2O/c;2*1-5(2,3)4;;;;/h;2*(H,3,4);4*1H2/q+2;;;;;;/p-2
InChIKeyWOCFGZLMOWLHFB-UHFFFAOYSA-L
XLogP-1.81
TPSA206.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 5-1.81
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;bis(dichlorophosphinate);tetrahydrate?
The IUPAC name of calcium;bis(dichlorophosphinate);tetrahydrate (CID 90475593) is calcium;bis(dichlorophosphinate);tetrahydrate.
What is the SMILES notation for calcium;bis(dichlorophosphinate);tetrahydrate?
The canonical SMILES for calcium;bis(dichlorophosphinate);tetrahydrate is O.O.O.O.O=P([O-])(Cl)Cl.O=P([O-])(Cl)Cl.[Ca+2].
What is the InChIKey of calcium;bis(dichlorophosphinate);tetrahydrate?
The InChIKey is WOCFGZLMOWLHFB-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2Cl2HO2P.4H2O/c;2*1-5(2,3)4;;;;/h;2*(H,3,4);4*1H2/q+2;;;;;;/p-2.
What are the key properties of calcium;bis(dichlorophosphinate);tetrahydrate?
calcium;bis(dichlorophosphinate);tetrahydrate has a molecular weight of 379.89 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(dichlorophosphinate);tetrahydrate is sourced from PubChem (CID 90475593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).