aluminum tris(tert-butyl(methyl)phosphinate)

C15H36AlO6P3 — CID 173016084

IUPACaluminum tris(tert-butyl(methyl)phosphinate)
SMILESCC(C)(C)P(C)(=O)[O-].CC(C)(C)P(C)(=O)[O-].CC(C)(C)P(C)(=O)[O-].[Al+3]
InChIInChI=1S/3C5H13O2P.Al/c3*1-5(2,3)8(4,6)7;/h3*1-4H3,(H,6,7);/q;;;+3/p-3
InChIKeyXIFSBVPTKJKVJU-UHFFFAOYSA-K
MW432.35 g/mol
LogP2.78
Rot. Bonds

About aluminum tris(tert-butyl(methyl)phosphinate)

aluminum tris(tert-butyl(methyl)phosphinate) (PubChem CID 173016084) has the molecular formula C15H36AlO6P3 and a molecular weight of 432.35 g/mol. Its IUPAC name is aluminum tris(tert-butyl(methyl)phosphinate).

Molecular Properties

Compound Namealuminum tris(tert-butyl(methyl)phosphinate)
PubChem CID173016084
Molecular FormulaC15H36AlO6P3
Molecular Weight432.35 g/mol
Exact Mass432.15
IUPAC Namealuminum tris(tert-butyl(methyl)phosphinate)
SMILESCC(C)(C)P(C)(=O)[O-].CC(C)(C)P(C)(=O)[O-].CC(C)(C)P(C)(=O)[O-].[Al+3]
InChIInChI=1S/3C5H13O2P.Al/c3*1-5(2,3)8(4,6)7;/h3*1-4H3,(H,6,7);/q;;;+3/p-3
InChIKeyXIFSBVPTKJKVJU-UHFFFAOYSA-K
XLogP2.78
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(tert-butyl(methyl)phosphinate)?
The IUPAC name of aluminum tris(tert-butyl(methyl)phosphinate) (CID 173016084) is aluminum tris(tert-butyl(methyl)phosphinate).
What is the SMILES notation for aluminum tris(tert-butyl(methyl)phosphinate)?
The canonical SMILES for aluminum tris(tert-butyl(methyl)phosphinate) is CC(C)(C)P(C)(=O)[O-].CC(C)(C)P(C)(=O)[O-].CC(C)(C)P(C)(=O)[O-].[Al+3].
What is the InChIKey of aluminum tris(tert-butyl(methyl)phosphinate)?
The InChIKey is XIFSBVPTKJKVJU-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H13O2P.Al/c3*1-5(2,3)8(4,6)7;/h3*1-4H3,(H,6,7);/q;;;+3/p-3.
What are the key properties of aluminum tris(tert-butyl(methyl)phosphinate)?
aluminum tris(tert-butyl(methyl)phosphinate) has a molecular weight of 432.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(tert-butyl(methyl)phosphinate) is sourced from PubChem (CID 173016084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).