dialuminum;tris(propan-2-olate)

C9H21Al2O3+3 — CID 19357396

IUPACdialuminum;tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Al+3]
InChIInChI=1S/3C3H7O.2Al/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;2*+3
InChIKeyGQCUGBINZYMKAX-UHFFFAOYSA-N
MW231.23 g/mol
LogP-1.50
Rot. Bonds

About dialuminum;tris(propan-2-olate)

dialuminum;tris(propan-2-olate) (PubChem CID 19357396) has the molecular formula C9H21Al2O3+3 and a molecular weight of 231.23 g/mol. Its IUPAC name is dialuminum;tris(propan-2-olate).

Molecular Properties

Compound Namedialuminum;tris(propan-2-olate)
PubChem CID19357396
Molecular FormulaC9H21Al2O3+3
Molecular Weight231.23 g/mol
Exact Mass231.11
IUPAC Namedialuminum;tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Al+3]
InChIInChI=1S/3C3H7O.2Al/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;2*+3
InChIKeyGQCUGBINZYMKAX-UHFFFAOYSA-N
XLogP-1.50
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dialuminum;tris(propan-2-olate)?
The IUPAC name of dialuminum;tris(propan-2-olate) (CID 19357396) is dialuminum;tris(propan-2-olate).
What is the SMILES notation for dialuminum;tris(propan-2-olate)?
The canonical SMILES for dialuminum;tris(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;tris(propan-2-olate)?
The InChIKey is GQCUGBINZYMKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.2Al/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;2*+3.
What are the key properties of dialuminum;tris(propan-2-olate)?
dialuminum;tris(propan-2-olate) has a molecular weight of 231.23 g/mol, XLogP of -1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;tris(propan-2-olate) is sourced from PubChem (CID 19357396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).