aluminum;diethylphosphinate;terephthalate

C12H14AlO6P — CID 68742524

IUPACaluminum;diethylphosphinate;terephthalate
SMILESCCP(=O)([O-])CC.O=C([O-])c1ccc(C(=O)[O-])cc1.[Al+3]
InChIInChI=1S/C8H6O4.C4H11O2P.Al/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-3-7(5,6)4-2;/h1-4H,(H,9,10)(H,11,12);3-4H2,1-2H3,(H,5,6);/q;;+3/p-3
InChIKeyFEZROVYTCNUGNX-UHFFFAOYSA-K
MW312.19 g/mol
LogP-1.30
Rot. Bonds4

About aluminum;diethylphosphinate;terephthalate

aluminum;diethylphosphinate;terephthalate (PubChem CID 68742524) has the molecular formula C12H14AlO6P and a molecular weight of 312.19 g/mol. Its IUPAC name is aluminum;diethylphosphinate;terephthalate.

Molecular Properties

Compound Namealuminum;diethylphosphinate;terephthalate
PubChem CID68742524
Molecular FormulaC12H14AlO6P
Molecular Weight312.19 g/mol
Exact Mass312.03
IUPAC Namealuminum;diethylphosphinate;terephthalate
SMILESCCP(=O)([O-])CC.O=C([O-])c1ccc(C(=O)[O-])cc1.[Al+3]
InChIInChI=1S/C8H6O4.C4H11O2P.Al/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-3-7(5,6)4-2;/h1-4H,(H,9,10)(H,11,12);3-4H2,1-2H3,(H,5,6);/q;;+3/p-3
InChIKeyFEZROVYTCNUGNX-UHFFFAOYSA-K
XLogP-1.30
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 5-1.30
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

dilithium;terephthalate
CID 14361651
dipotassium;terephthalate
CID 25981
terephthalate;vanadium(4+)
CID 157213578
potassium 4-ethylbenzoate
CID 23708087
barium(2+);bis(4-ethylbenzoate)
CID 101299929
bis(diethyl(hydroxy)azanium);terephthalate
CID 139079429
azanium;sodium;terephthalate
CID 18352242
4-bis(4-carboxylatophenyl)phosphorylbenzoate
CID 102598234
tetrakis(diethylphosphinate);titanium(4+)
CID 86595913
ethane-1,2-diol;iron(2+);terephthalate
CID 174939039
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
disodium;ethene;terephthalate
CID 175257755

Frequently Asked Questions

What is the IUPAC name of aluminum;diethylphosphinate;terephthalate?
The IUPAC name of aluminum;diethylphosphinate;terephthalate (CID 68742524) is aluminum;diethylphosphinate;terephthalate.
What is the SMILES notation for aluminum;diethylphosphinate;terephthalate?
The canonical SMILES for aluminum;diethylphosphinate;terephthalate is CCP(=O)([O-])CC.O=C([O-])c1ccc(C(=O)[O-])cc1.[Al+3].
What is the InChIKey of aluminum;diethylphosphinate;terephthalate?
The InChIKey is FEZROVYTCNUGNX-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H6O4.C4H11O2P.Al/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-3-7(5,6)4-2;/h1-4H,(H,9,10)(H,11,12);3-4H2,1-2H3,(H,5,6);/q;;+3/p-3.
What are the key properties of aluminum;diethylphosphinate;terephthalate?
aluminum;diethylphosphinate;terephthalate has a molecular weight of 312.19 g/mol, XLogP of -1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;diethylphosphinate;terephthalate is sourced from PubChem (CID 68742524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).