cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide

C48H114CoO18P4+4 — CID 5150268

About cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide

cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide (PubChem CID 5150268) has the molecular formula C48H114CoO18P4+4 and a molecular weight of 1162.25 g/mol. Its IUPAC name is cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide.

Molecular Properties

• Compound Name: cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide
• PubChem CID: 5150268
• Molecular Formula: C48H114CoO18P4+4
• Molecular Weight: 1162.25 g/mol
• Exact Mass: 1161.63
• IUPAC Name: cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide
• SMILES: [Co+2].[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[OH-].[OH-]
• InChI: InChI=1S/4C12H27O4P.Co.2H2O/c4*1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6;;;/h4*10-12H,7-9H2,1-6H3;;2*1H2/q;;;;+2;;/p+2
• InChIKey: JPYSTRJGNVQATF-UHFFFAOYSA-P
• XLogP: 15.86
• TPSA: 256.36 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 36
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.25
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide?

The IUPAC name of cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide (CID 5150268) is cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide.

What is the SMILES notation for cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide?

The canonical SMILES for cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide is [Co+2].[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[H][O+]=P(OCC(C)C)(OCC(C)C)OCC(C)C.[OH-].[OH-].

What is the InChIKey of cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide?

The InChIKey is JPYSTRJGNVQATF-UHFFFAOYSA-P. The full InChI is InChI=1S/4C12H27O4P.Co.2H2O/c4*1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6;;;/h4*10-12H,7-9H2,1-6H3;;2*1H2/q;;;;+2;;/p+2.

What are the key properties of cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide?

cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide has a molecular weight of 1162.25 g/mol, XLogP of 15.86, 36 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide is sourced from PubChem (CID 5150268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).