aluminum;calcium;pentakis(propan-2-olate)

C15H35AlCaO5 — CID 22590940

IUPACaluminum;calcium;pentakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Ca+2]
InChIInChI=1S/5C3H7O.Al.Ca/c5*1-3(2)4;;/h5*3H,1-2H3;;/q5*-1;+3;+2
InChIKeyJTQBAFGYSGLZOO-UHFFFAOYSA-N
MW362.50 g/mol
LogP-1.99
Rot. Bonds

About aluminum;calcium;pentakis(propan-2-olate)

aluminum;calcium;pentakis(propan-2-olate) (PubChem CID 22590940) has the molecular formula C15H35AlCaO5 and a molecular weight of 362.50 g/mol. Its IUPAC name is aluminum;calcium;pentakis(propan-2-olate).

Molecular Properties

Compound Namealuminum;calcium;pentakis(propan-2-olate)
PubChem CID22590940
Molecular FormulaC15H35AlCaO5
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Namealuminum;calcium;pentakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Ca+2]
InChIInChI=1S/5C3H7O.Al.Ca/c5*1-3(2)4;;/h5*3H,1-2H3;;/q5*-1;+3;+2
InChIKeyJTQBAFGYSGLZOO-UHFFFAOYSA-N
XLogP-1.99
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 5-1.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;pentakis(propan-2-olate)?
The IUPAC name of aluminum;calcium;pentakis(propan-2-olate) (CID 22590940) is aluminum;calcium;pentakis(propan-2-olate).
What is the SMILES notation for aluminum;calcium;pentakis(propan-2-olate)?
The canonical SMILES for aluminum;calcium;pentakis(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Ca+2].
What is the InChIKey of aluminum;calcium;pentakis(propan-2-olate)?
The InChIKey is JTQBAFGYSGLZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H7O.Al.Ca/c5*1-3(2)4;;/h5*3H,1-2H3;;/q5*-1;+3;+2.
What are the key properties of aluminum;calcium;pentakis(propan-2-olate)?
aluminum;calcium;pentakis(propan-2-olate) has a molecular weight of 362.50 g/mol, XLogP of -1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;pentakis(propan-2-olate) is sourced from PubChem (CID 22590940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).