cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate

C48H113ClCoO22P4+2 — CID 54612404

IUPACcobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate
SMILESCC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.O.O.[Co+2].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/4C12H27O4P.ClHO4.Co.2H2O/c4*1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6;2-1(3,4)5;;;/h4*10-12H,7-9H2,1-6H3;(H,2,3,4,5);;2*1H2/q;;;;;+2;;
InChIKeyOENGARLCAJWCMR-UHFFFAOYSA-N
MW1260.69 g/mol
LogP10.67
Rot. Bonds36

About cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate

cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate (PubChem CID 54612404) has the molecular formula C48H113ClCoO22P4+2 and a molecular weight of 1260.69 g/mol. Its IUPAC name is cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate.

Molecular Properties

Compound Namecobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate
PubChem CID54612404
Molecular FormulaC48H113ClCoO22P4+2
Molecular Weight1260.69 g/mol
Exact Mass1259.57
IUPAC Namecobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate
SMILESCC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.O.O.[Co+2].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/4C12H27O4P.ClHO4.Co.2H2O/c4*1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6;2-1(3,4)5;;;/h4*10-12H,7-9H2,1-6H3;(H,2,3,4,5);;2*1H2/q;;;;;+2;;
InChIKeyOENGARLCAJWCMR-UHFFFAOYSA-N
XLogP10.67
TPSA331.45 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.69
LogP ≤ 510.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate?
The IUPAC name of cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate (CID 54612404) is cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate.
What is the SMILES notation for cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate?
The canonical SMILES for cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate is CC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.CC(C)COP(=O)(OCC(C)C)OCC(C)C.O.O.[Co+2].[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate?
The InChIKey is OENGARLCAJWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H27O4P.ClHO4.Co.2H2O/c4*1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6;2-1(3,4)5;;;/h4*10-12H,7-9H2,1-6H3;(H,2,3,4,5);;2*1H2/q;;;;;+2;;.
What are the key properties of cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate?
cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate has a molecular weight of 1260.69 g/mol, XLogP of 10.67, 36 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);perchloric acid;tetrakis(tris(2-methylpropyl) phosphate);dihydrate is sourced from PubChem (CID 54612404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).