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

C8H17AlO4 — CID 18798494

IUPACacetyloxyaluminum(2+);bis(propan-2-olate)
SMILESCC(=O)O[Al+2].CC(C)[O-].CC(C)[O-]
InChIInChI=1S/2C3H7O.C2H4O2.Al/c2*1-3(2)4;1-2(3)4;/h2*3H,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeyHJFUUQISSHZQRS-UHFFFAOYSA-M
MW204.20 g/mol
LogP-0.86
Rot. Bonds

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

acetyloxyaluminum(2+);bis(propan-2-olate) (PubChem CID 18798494) has the molecular formula C8H17AlO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is acetyloxyaluminum(2+);bis(propan-2-olate).

Molecular Properties

Compound Nameacetyloxyaluminum(2+);bis(propan-2-olate)
PubChem CID18798494
Molecular FormulaC8H17AlO4
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Nameacetyloxyaluminum(2+);bis(propan-2-olate)
SMILESCC(=O)O[Al+2].CC(C)[O-].CC(C)[O-]
InChIInChI=1S/2C3H7O.C2H4O2.Al/c2*1-3(2)4;1-2(3)4;/h2*3H,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeyHJFUUQISSHZQRS-UHFFFAOYSA-M
XLogP-0.86
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetyloxyaluminum(2+);bis(propan-2-olate)?
The IUPAC name of acetyloxyaluminum(2+);bis(propan-2-olate) (CID 18798494) is acetyloxyaluminum(2+);bis(propan-2-olate).
What is the SMILES notation for acetyloxyaluminum(2+);bis(propan-2-olate)?
The canonical SMILES for acetyloxyaluminum(2+);bis(propan-2-olate) is CC(=O)O[Al+2].CC(C)[O-].CC(C)[O-].
What is the InChIKey of acetyloxyaluminum(2+);bis(propan-2-olate)?
The InChIKey is HJFUUQISSHZQRS-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H7O.C2H4O2.Al/c2*1-3(2)4;1-2(3)4;/h2*3H,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1.
What are the key properties of acetyloxyaluminum(2+);bis(propan-2-olate)?
acetyloxyaluminum(2+);bis(propan-2-olate) has a molecular weight of 204.20 g/mol, XLogP of -0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxyaluminum(2+);bis(propan-2-olate) is sourced from PubChem (CID 18798494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).