aluminum tris(propan-2-olate)

C9H21AlO3 — CID 11143

IUPACaluminum tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]
InChIInChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeySMZOGRDCAXLAAR-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.12
Rot. Bonds

About aluminum tris(propan-2-olate)

aluminum tris(propan-2-olate) (PubChem CID 11143) has the molecular formula C9H21AlO3 and a molecular weight of 204.25 g/mol. Its IUPAC name is aluminum tris(propan-2-olate).

Molecular Properties

Compound Namealuminum tris(propan-2-olate)
PubChem CID11143
Molecular FormulaC9H21AlO3
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Namealuminum tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]
InChIInChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeySMZOGRDCAXLAAR-UHFFFAOYSA-N
XLogP-1.12
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(propan-2-olate)?
The IUPAC name of aluminum tris(propan-2-olate) (CID 11143) is aluminum tris(propan-2-olate).
What is the SMILES notation for aluminum tris(propan-2-olate)?
The canonical SMILES for aluminum tris(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].
What is the InChIKey of aluminum tris(propan-2-olate)?
The InChIKey is SMZOGRDCAXLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3.
What are the key properties of aluminum tris(propan-2-olate)?
aluminum tris(propan-2-olate) has a molecular weight of 204.25 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(propan-2-olate) is sourced from PubChem (CID 11143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).