aluminum;tris(propan-2-olate);propan-2-one

C12H27AlO4 — CID 21261065

IUPACaluminum;tris(propan-2-olate);propan-2-one
SMILESCC(C)=O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]
InChIInChI=1S/3C3H7O.C3H6O.Al/c4*1-3(2)4;/h3*3H,1-2H3;1-2H3;/q3*-1;;+3
InChIKeySFQKZELKJFQHRR-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.52
Rot. Bonds

About aluminum;tris(propan-2-olate);propan-2-one

aluminum;tris(propan-2-olate);propan-2-one (PubChem CID 21261065) has the molecular formula C12H27AlO4 and a molecular weight of 262.33 g/mol. Its IUPAC name is aluminum;tris(propan-2-olate);propan-2-one.

Molecular Properties

Compound Namealuminum;tris(propan-2-olate);propan-2-one
PubChem CID21261065
Molecular FormulaC12H27AlO4
Molecular Weight262.33 g/mol
Exact Mass262.17
IUPAC Namealuminum;tris(propan-2-olate);propan-2-one
SMILESCC(C)=O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]
InChIInChI=1S/3C3H7O.C3H6O.Al/c4*1-3(2)4;/h3*3H,1-2H3;1-2H3;/q3*-1;;+3
InChIKeySFQKZELKJFQHRR-UHFFFAOYSA-N
XLogP-0.52
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of aluminum;tris(propan-2-olate);propan-2-one?
The IUPAC name of aluminum;tris(propan-2-olate);propan-2-one (CID 21261065) is aluminum;tris(propan-2-olate);propan-2-one.
What is the SMILES notation for aluminum;tris(propan-2-olate);propan-2-one?
The canonical SMILES for aluminum;tris(propan-2-olate);propan-2-one is CC(C)=O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].
What is the InChIKey of aluminum;tris(propan-2-olate);propan-2-one?
The InChIKey is SFQKZELKJFQHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.C3H6O.Al/c4*1-3(2)4;/h3*3H,1-2H3;1-2H3;/q3*-1;;+3.
What are the key properties of aluminum;tris(propan-2-olate);propan-2-one?
aluminum;tris(propan-2-olate);propan-2-one has a molecular weight of 262.33 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;tris(propan-2-olate);propan-2-one is sourced from PubChem (CID 21261065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).