dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate

C27H66Al2O12P6 — CID 161477134

IUPACdialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate
SMILESCCCCP(=O)([O-])CC.CCCCP(=O)([O-])CC.CCCCP(=O)([O-])CC.CCP(C)(=O)[O-].CCP(C)(=O)[O-].CCP(C)(=O)[O-].[Al+3].[Al+3]
InChIInChI=1S/3C6H15O2P.3C3H9O2P.2Al/c3*1-3-5-6-9(7,8)4-2;3*1-3-6(2,4)5;;/h3*3-6H2,1-2H3,(H,7,8);3*3H2,1-2H3,(H,4,5);;/q;;;;;;2*+3/p-6
InChIKeyWDWCHFLHTGQWSW-UHFFFAOYSA-H
MW822.62 g/mol
LogP4.40
Rot. Bonds15

About dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate

dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate (PubChem CID 161477134) has the molecular formula C27H66Al2O12P6 and a molecular weight of 822.62 g/mol. Its IUPAC name is dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate.

Molecular Properties

Compound Namedialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate
PubChem CID161477134
Molecular FormulaC27H66Al2O12P6
Molecular Weight822.62 g/mol
Exact Mass822.26
IUPAC Namedialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate
SMILESCCCCP(=O)([O-])CC.CCCCP(=O)([O-])CC.CCCCP(=O)([O-])CC.CCP(C)(=O)[O-].CCP(C)(=O)[O-].CCP(C)(=O)[O-].[Al+3].[Al+3]
InChIInChI=1S/3C6H15O2P.3C3H9O2P.2Al/c3*1-3-5-6-9(7,8)4-2;3*1-3-6(2,4)5;;/h3*3-6H2,1-2H3,(H,7,8);3*3H2,1-2H3,(H,4,5);;/q;;;;;;2*+3/p-6
InChIKeyWDWCHFLHTGQWSW-UHFFFAOYSA-H
XLogP4.40
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.62
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
aluminum tris(dipentylphosphinate)
CID 175031786
aluminum tris(didecylphosphinate)
CID 175205611
bis(dipentylphosphinate);nickel(2+)
CID 22743871
sodium dioctylphosphinate
CID 23691904
bis(dioctylphosphinate);nickel(2+)
CID 22743879
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
diethylphosphinate
CID 159335352
magnesium methyl(octyl)phosphinate
CID 176884397
ethyl(methyl)phosphinate;trihexyl(methyl)phosphanium
CID 90317907

Frequently Asked Questions

What is the IUPAC name of dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate?
The IUPAC name of dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate (CID 161477134) is dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate.
What is the SMILES notation for dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate?
The canonical SMILES for dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate is CCCCP(=O)([O-])CC.CCCCP(=O)([O-])CC.CCCCP(=O)([O-])CC.CCP(C)(=O)[O-].CCP(C)(=O)[O-].CCP(C)(=O)[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate?
The InChIKey is WDWCHFLHTGQWSW-UHFFFAOYSA-H. The full InChI is InChI=1S/3C6H15O2P.3C3H9O2P.2Al/c3*1-3-5-6-9(7,8)4-2;3*1-3-6(2,4)5;;/h3*3-6H2,1-2H3,(H,7,8);3*3H2,1-2H3,(H,4,5);;/q;;;;;;2*+3/p-6.
What are the key properties of dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate?
dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate has a molecular weight of 822.62 g/mol, XLogP of 4.40, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate is sourced from PubChem (CID 161477134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).