bis(propan-2-olate);propan-2-ylaluminum(2+)

C9H21AlO2 — CID 18316818

IUPACbis(propan-2-olate);propan-2-ylaluminum(2+)
SMILESCC(C)[Al+2].CC(C)[O-].CC(C)[O-]
InChIInChI=1S/2C3H7O.C3H7.Al/c2*1-3(2)4;1-3-2;/h2*3H,1-2H3;3H,1-2H3;/q2*-1;;+2
InChIKeyKVCHYSBBCFDERU-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.49
Rot. Bonds

About bis(propan-2-olate);propan-2-ylaluminum(2+)

bis(propan-2-olate);propan-2-ylaluminum(2+) (PubChem CID 18316818) has the molecular formula C9H21AlO2 and a molecular weight of 188.25 g/mol. Its IUPAC name is bis(propan-2-olate);propan-2-ylaluminum(2+).

Molecular Properties

Compound Namebis(propan-2-olate);propan-2-ylaluminum(2+)
PubChem CID18316818
Molecular FormulaC9H21AlO2
Molecular Weight188.25 g/mol
Exact Mass188.14
IUPAC Namebis(propan-2-olate);propan-2-ylaluminum(2+)
SMILESCC(C)[Al+2].CC(C)[O-].CC(C)[O-]
InChIInChI=1S/2C3H7O.C3H7.Al/c2*1-3(2)4;1-3-2;/h2*3H,1-2H3;3H,1-2H3;/q2*-1;;+2
InChIKeyKVCHYSBBCFDERU-UHFFFAOYSA-N
XLogP0.49
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(propan-2-olate);propan-2-ylaluminum(2+)?
The IUPAC name of bis(propan-2-olate);propan-2-ylaluminum(2+) (CID 18316818) is bis(propan-2-olate);propan-2-ylaluminum(2+).
What is the SMILES notation for bis(propan-2-olate);propan-2-ylaluminum(2+)?
The canonical SMILES for bis(propan-2-olate);propan-2-ylaluminum(2+) is CC(C)[Al+2].CC(C)[O-].CC(C)[O-].
What is the InChIKey of bis(propan-2-olate);propan-2-ylaluminum(2+)?
The InChIKey is KVCHYSBBCFDERU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.C3H7.Al/c2*1-3(2)4;1-3-2;/h2*3H,1-2H3;3H,1-2H3;/q2*-1;;+2.
What are the key properties of bis(propan-2-olate);propan-2-ylaluminum(2+)?
bis(propan-2-olate);propan-2-ylaluminum(2+) has a molecular weight of 188.25 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-olate);propan-2-ylaluminum(2+) is sourced from PubChem (CID 18316818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).