aluminum;hydron;tris(2-methylpentane-2,4-diolate)

C18H39AlO6 — CID 138397284

IUPACaluminum;hydron;tris(2-methylpentane-2,4-diolate)
SMILESCC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-].[Al+3].[H+].[H+].[H+]
InChIInChI=1S/3C6H12O2.Al/c3*1-5(7)4-6(2,3)8;/h3*5H,4H2,1-3H3;/q3*-2;+3/p+3
InChIKeyOQGDDPLHSANCAF-UHFFFAOYSA-Q
MW378.49 g/mol
LogP-2.25
Rot. Bonds6

About aluminum;hydron;tris(2-methylpentane-2,4-diolate)

aluminum;hydron;tris(2-methylpentane-2,4-diolate) (PubChem CID 138397284) has the molecular formula C18H39AlO6 and a molecular weight of 378.49 g/mol. Its IUPAC name is aluminum;hydron;tris(2-methylpentane-2,4-diolate).

Molecular Properties

Compound Namealuminum;hydron;tris(2-methylpentane-2,4-diolate)
PubChem CID138397284
Molecular FormulaC18H39AlO6
Molecular Weight378.49 g/mol
Exact Mass378.26
IUPAC Namealuminum;hydron;tris(2-methylpentane-2,4-diolate)
SMILESCC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-].[Al+3].[H+].[H+].[H+]
InChIInChI=1S/3C6H12O2.Al/c3*1-5(7)4-6(2,3)8;/h3*5H,4H2,1-3H3;/q3*-2;+3/p+3
InChIKeyOQGDDPLHSANCAF-UHFFFAOYSA-Q
XLogP-2.25
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 5-2.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze aluminum;hydron;tris(2-methylpentane-2,4-diolate) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of aluminum;hydron;tris(2-methylpentane-2,4-diolate)?
The IUPAC name of aluminum;hydron;tris(2-methylpentane-2,4-diolate) (CID 138397284) is aluminum;hydron;tris(2-methylpentane-2,4-diolate).
What is the SMILES notation for aluminum;hydron;tris(2-methylpentane-2,4-diolate)?
The canonical SMILES for aluminum;hydron;tris(2-methylpentane-2,4-diolate) is CC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-].[Al+3].[H+].[H+].[H+].
What is the InChIKey of aluminum;hydron;tris(2-methylpentane-2,4-diolate)?
The InChIKey is OQGDDPLHSANCAF-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C6H12O2.Al/c3*1-5(7)4-6(2,3)8;/h3*5H,4H2,1-3H3;/q3*-2;+3/p+3.
What are the key properties of aluminum;hydron;tris(2-methylpentane-2,4-diolate)?
aluminum;hydron;tris(2-methylpentane-2,4-diolate) has a molecular weight of 378.49 g/mol, XLogP of -2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hydron;tris(2-methylpentane-2,4-diolate) is sourced from PubChem (CID 138397284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).