dialuminum;butanoic acid

C12H24Al2O6+6 — CID 175897781

IUPACdialuminum;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[Al+3].[Al+3]
InChIInChI=1S/3C4H8O2.2Al/c3*1-2-3-4(5)6;;/h3*2-3H2,1H3,(H,5,6);;/q;;;2*+3
InChIKeyMMBJCLZBXJTZCS-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.85
Rot. Bonds6

About dialuminum;butanoic acid

dialuminum;butanoic acid (PubChem CID 175897781) has the molecular formula C12H24Al2O6+6 and a molecular weight of 318.28 g/mol. Its IUPAC name is dialuminum;butanoic acid.

Molecular Properties

Compound Namedialuminum;butanoic acid
PubChem CID175897781
Molecular FormulaC12H24Al2O6+6
Molecular Weight318.28 g/mol
Exact Mass318.12
IUPAC Namedialuminum;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[Al+3].[Al+3]
InChIInChI=1S/3C4H8O2.2Al/c3*1-2-3-4(5)6;;/h3*2-3H2,1H3,(H,5,6);;/q;;;2*+3
InChIKeyMMBJCLZBXJTZCS-UHFFFAOYSA-N
XLogP1.85
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze dialuminum;butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanoic acid;mercury
CID 87059277
butanoic acid;zirconium
CID 87090666
butanoic acid;heptahydrofluoride
CID 172757824
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
CID 88693438
CID 88693438
azane;butanoic acid
CID 173280540
CID 87208956
CID 87208956
acetic acid;butanoic acid
CID 158263120

Frequently Asked Questions

What is the IUPAC name of dialuminum;butanoic acid?
The IUPAC name of dialuminum;butanoic acid (CID 175897781) is dialuminum;butanoic acid.
What is the SMILES notation for dialuminum;butanoic acid?
The canonical SMILES for dialuminum;butanoic acid is CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[Al+3].[Al+3].
What is the InChIKey of dialuminum;butanoic acid?
The InChIKey is MMBJCLZBXJTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H8O2.2Al/c3*1-2-3-4(5)6;;/h3*2-3H2,1H3,(H,5,6);;/q;;;2*+3.
What are the key properties of dialuminum;butanoic acid?
dialuminum;butanoic acid has a molecular weight of 318.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;butanoic acid is sourced from PubChem (CID 175897781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).