aluminum;nickel(2+);pentakis(propan-2-olate)

C15H35AlNiO5 — CID 18401254

IUPACaluminum;nickel(2+);pentakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Ni+2]
InChIInChI=1S/5C3H7O.Al.Ni/c5*1-3(2)4;;/h5*3H,1-2H3;;/q5*-1;+3;+2
InChIKeyJCXUQCCADMZQRP-UHFFFAOYSA-N
MW381.12 g/mol
LogP-1.61
Rot. Bonds

About aluminum;nickel(2+);pentakis(propan-2-olate)

aluminum;nickel(2+);pentakis(propan-2-olate) (PubChem CID 18401254) has the molecular formula C15H35AlNiO5 and a molecular weight of 381.12 g/mol. Its IUPAC name is aluminum;nickel(2+);pentakis(propan-2-olate).

Molecular Properties

Compound Namealuminum;nickel(2+);pentakis(propan-2-olate)
PubChem CID18401254
Molecular FormulaC15H35AlNiO5
Molecular Weight381.12 g/mol
Exact Mass380.17
IUPAC Namealuminum;nickel(2+);pentakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Ni+2]
InChIInChI=1S/5C3H7O.Al.Ni/c5*1-3(2)4;;/h5*3H,1-2H3;;/q5*-1;+3;+2
InChIKeyJCXUQCCADMZQRP-UHFFFAOYSA-N
XLogP-1.61
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of aluminum;nickel(2+);pentakis(propan-2-olate)?
The IUPAC name of aluminum;nickel(2+);pentakis(propan-2-olate) (CID 18401254) is aluminum;nickel(2+);pentakis(propan-2-olate).
What is the SMILES notation for aluminum;nickel(2+);pentakis(propan-2-olate)?
The canonical SMILES for aluminum;nickel(2+);pentakis(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Ni+2].
What is the InChIKey of aluminum;nickel(2+);pentakis(propan-2-olate)?
The InChIKey is JCXUQCCADMZQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H7O.Al.Ni/c5*1-3(2)4;;/h5*3H,1-2H3;;/q5*-1;+3;+2.
What are the key properties of aluminum;nickel(2+);pentakis(propan-2-olate)?
aluminum;nickel(2+);pentakis(propan-2-olate) has a molecular weight of 381.12 g/mol, XLogP of -1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;nickel(2+);pentakis(propan-2-olate) is sourced from PubChem (CID 18401254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).