aluminum;tris(hexanoate);nonadecakis(hexanoic acid)

C132H261AlO44 — CID 175347861

IUPACaluminum;tris(hexanoate);nonadecakis(hexanoic acid)
SMILESCCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)[O-].CCCCCC(=O)[O-].CCCCCC(=O)[O-].[Al+3]
InChIInChI=1S/22C6H12O2.Al/c22*1-2-3-4-5-6(7)8;/h22*2-5H2,1H3,(H,7,8);/q;;;;;;;;;;;;;;;;;;;;;;+3/p-3
InChIKeyAYZDSYBYOOYWFJ-UHFFFAOYSA-K
MW2579.48 g/mol
LogP31.94
Rot. Bonds88

About aluminum;tris(hexanoate);nonadecakis(hexanoic acid)

aluminum;tris(hexanoate);nonadecakis(hexanoic acid) (PubChem CID 175347861) has the molecular formula C132H261AlO44 and a molecular weight of 2579.48 g/mol. Its IUPAC name is aluminum;tris(hexanoate);nonadecakis(hexanoic acid).

Molecular Properties

Compound Namealuminum;tris(hexanoate);nonadecakis(hexanoic acid)
PubChem CID175347861
Molecular FormulaC132H261AlO44
Molecular Weight2579.48 g/mol
Exact Mass2577.80
IUPAC Namealuminum;tris(hexanoate);nonadecakis(hexanoic acid)
SMILESCCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)[O-].CCCCCC(=O)[O-].CCCCCC(=O)[O-].[Al+3]
InChIInChI=1S/22C6H12O2.Al/c22*1-2-3-4-5-6(7)8;/h22*2-5H2,1H3,(H,7,8);/q;;;;;;;;;;;;;;;;;;;;;;+3/p-3
InChIKeyAYZDSYBYOOYWFJ-UHFFFAOYSA-K
XLogP31.94
TPSA829.09 Ų
H-Bond Donors19
H-Bond Acceptors25
Rotatable Bonds88
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.48
LogP ≤ 531.94
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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Related Compounds

potassium;hexanoate;hexanoic acid
CID 175726310
dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)
CID 173319614
sodium;docosanoic acid;octadecanoate
CID 174660155
strontium;bis(octadecanoate);octadecanoic acid
CID 159373393
magnesium;bis(octadecanoate);octadecanoic acid
CID 158576428
sodium;decanoic acid;dodecanoate
CID 159389890
sodium;hexadecanoate;hexadecanoic acid
CID 159365282
disodium;decanoic acid;bis(octanoate)
CID 158676910
calcium;bis(octadecanoate);bis(octadecanoic acid);hydrate
CID 174978246
disilver;octadecanoic acid;pentanedioate
CID 23440543
aluminum tris(dodecanoate)
CID 18764696
aluminum octanoate
CID 23176142

Frequently Asked Questions

What is the IUPAC name of aluminum;tris(hexanoate);nonadecakis(hexanoic acid)?
The IUPAC name of aluminum;tris(hexanoate);nonadecakis(hexanoic acid) (CID 175347861) is aluminum;tris(hexanoate);nonadecakis(hexanoic acid).
What is the SMILES notation for aluminum;tris(hexanoate);nonadecakis(hexanoic acid)?
The canonical SMILES for aluminum;tris(hexanoate);nonadecakis(hexanoic acid) is CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)[O-].CCCCCC(=O)[O-].CCCCCC(=O)[O-].[Al+3].
What is the InChIKey of aluminum;tris(hexanoate);nonadecakis(hexanoic acid)?
The InChIKey is AYZDSYBYOOYWFJ-UHFFFAOYSA-K. The full InChI is InChI=1S/22C6H12O2.Al/c22*1-2-3-4-5-6(7)8;/h22*2-5H2,1H3,(H,7,8);/q;;;;;;;;;;;;;;;;;;;;;;+3/p-3.
What are the key properties of aluminum;tris(hexanoate);nonadecakis(hexanoic acid)?
aluminum;tris(hexanoate);nonadecakis(hexanoic acid) has a molecular weight of 2579.48 g/mol, XLogP of 31.94, 88 rotatable bonds, 19 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;tris(hexanoate);nonadecakis(hexanoic acid) is sourced from PubChem (CID 175347861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).