aluminum tris(ditert-butylphosphinate)

C24H54AlO6P3 — CID 175284123

IUPACaluminum tris(ditert-butylphosphinate)
SMILESCC(C)(C)P(=O)([O-])C(C)(C)C.CC(C)(C)P(=O)([O-])C(C)(C)C.CC(C)(C)P(=O)([O-])C(C)(C)C.[Al+3]
InChIInChI=1S/3C8H19O2P.Al/c3*1-7(2,3)11(9,10)8(4,5)6;/h3*1-6H3,(H,9,10);/q;;;+3/p-3
InChIKeyPAGCZBYUGYICEV-UHFFFAOYSA-K
MW558.59 g/mol
LogP6.28
Rot. Bonds

About aluminum tris(ditert-butylphosphinate)

aluminum tris(ditert-butylphosphinate) (PubChem CID 175284123) has the molecular formula C24H54AlO6P3 and a molecular weight of 558.59 g/mol. Its IUPAC name is aluminum tris(ditert-butylphosphinate).

Molecular Properties

Compound Namealuminum tris(ditert-butylphosphinate)
PubChem CID175284123
Molecular FormulaC24H54AlO6P3
Molecular Weight558.59 g/mol
Exact Mass558.29
IUPAC Namealuminum tris(ditert-butylphosphinate)
SMILESCC(C)(C)P(=O)([O-])C(C)(C)C.CC(C)(C)P(=O)([O-])C(C)(C)C.CC(C)(C)P(=O)([O-])C(C)(C)C.[Al+3]
InChIInChI=1S/3C8H19O2P.Al/c3*1-7(2,3)11(9,10)8(4,5)6;/h3*1-6H3,(H,9,10);/q;;;+3/p-3
InChIKeyPAGCZBYUGYICEV-UHFFFAOYSA-K
XLogP6.28
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.59
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
trialuminum;triphosphate
CID 23371115
tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
CID 177074901
CID 19041851
CID 19041851
aluminum;iron(2+);phosphate
CID 18314842
aluminum;bis(indium(3+));triphosphate
CID 174896322
tetraaluminum;trifluoride;triphosphate
CID 173444901
bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane
CID 175312218
2-[tert-butyl(fluoro)phosphoryl]-2-methylpropane
CID 14144673
tetrakis(tert-butylazanium);phosphonato phosphate
CID 139755539
diazanium;tert-butyl phosphate
CID 121268914

Frequently Asked Questions

What is the IUPAC name of aluminum tris(ditert-butylphosphinate)?
The IUPAC name of aluminum tris(ditert-butylphosphinate) (CID 175284123) is aluminum tris(ditert-butylphosphinate).
What is the SMILES notation for aluminum tris(ditert-butylphosphinate)?
The canonical SMILES for aluminum tris(ditert-butylphosphinate) is CC(C)(C)P(=O)([O-])C(C)(C)C.CC(C)(C)P(=O)([O-])C(C)(C)C.CC(C)(C)P(=O)([O-])C(C)(C)C.[Al+3].
What is the InChIKey of aluminum tris(ditert-butylphosphinate)?
The InChIKey is PAGCZBYUGYICEV-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H19O2P.Al/c3*1-7(2,3)11(9,10)8(4,5)6;/h3*1-6H3,(H,9,10);/q;;;+3/p-3.
What are the key properties of aluminum tris(ditert-butylphosphinate)?
aluminum tris(ditert-butylphosphinate) has a molecular weight of 558.59 g/mol, XLogP of 6.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(ditert-butylphosphinate) is sourced from PubChem (CID 175284123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).