antimony(3+);tris(bis(2-methylpropyl) phosphite)

C24H54O9P3Sb — CID 23464204

IUPACantimony(3+);tris(bis(2-methylpropyl) phosphite)
SMILESCC(C)COP([O-])OCC(C)C.CC(C)COP([O-])OCC(C)C.CC(C)COP([O-])OCC(C)C.[Sb+3]
InChIInChI=1S/3C8H18O3P.Sb/c3*1-7(2)5-10-12(9)11-6-8(3)4;/h3*7-8H,5-6H2,1-4H3;/q3*-1;+3
InChIKeyMGIGWLMWUNVVKW-UHFFFAOYSA-N
MW701.37 g/mol
LogP5.38
Rot. Bonds18

About antimony(3+);tris(bis(2-methylpropyl) phosphite)

antimony(3+);tris(bis(2-methylpropyl) phosphite) (PubChem CID 23464204) has the molecular formula C24H54O9P3Sb and a molecular weight of 701.37 g/mol. Its IUPAC name is antimony(3+);tris(bis(2-methylpropyl) phosphite).

Molecular Properties

Compound Nameantimony(3+);tris(bis(2-methylpropyl) phosphite)
PubChem CID23464204
Molecular FormulaC24H54O9P3Sb
Molecular Weight701.37 g/mol
Exact Mass700.20
IUPAC Nameantimony(3+);tris(bis(2-methylpropyl) phosphite)
SMILESCC(C)COP([O-])OCC(C)C.CC(C)COP([O-])OCC(C)C.CC(C)COP([O-])OCC(C)C.[Sb+3]
InChIInChI=1S/3C8H18O3P.Sb/c3*1-7(2)5-10-12(9)11-6-8(3)4;/h3*7-8H,5-6H2,1-4H3;/q3*-1;+3
InChIKeyMGIGWLMWUNVVKW-UHFFFAOYSA-N
XLogP5.38
TPSA124.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms37
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(bis(2-methylpropyl) phosphite)?
The IUPAC name of antimony(3+);tris(bis(2-methylpropyl) phosphite) (CID 23464204) is antimony(3+);tris(bis(2-methylpropyl) phosphite).
What is the SMILES notation for antimony(3+);tris(bis(2-methylpropyl) phosphite)?
The canonical SMILES for antimony(3+);tris(bis(2-methylpropyl) phosphite) is CC(C)COP([O-])OCC(C)C.CC(C)COP([O-])OCC(C)C.CC(C)COP([O-])OCC(C)C.[Sb+3].
What is the InChIKey of antimony(3+);tris(bis(2-methylpropyl) phosphite)?
The InChIKey is MGIGWLMWUNVVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H18O3P.Sb/c3*1-7(2)5-10-12(9)11-6-8(3)4;/h3*7-8H,5-6H2,1-4H3;/q3*-1;+3.
What are the key properties of antimony(3+);tris(bis(2-methylpropyl) phosphite)?
antimony(3+);tris(bis(2-methylpropyl) phosphite) has a molecular weight of 701.37 g/mol, XLogP of 5.38, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(bis(2-methylpropyl) phosphite) is sourced from PubChem (CID 23464204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).