tetrakis(propan-2-olate);zirconium(4+)

C12H28O4Zr — CID 3083750

IUPACtetrakis(propan-2-olate);zirconium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]
InChIInChI=1S/4C3H7O.Zr/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
InChIKeyZGSOBQAJAUGRBK-UHFFFAOYSA-N
MW327.58 g/mol
LogP-0.98
Rot. Bonds

About tetrakis(propan-2-olate);zirconium(4+)

tetrakis(propan-2-olate);zirconium(4+) (PubChem CID 3083750) has the molecular formula C12H28O4Zr and a molecular weight of 327.58 g/mol. Its IUPAC name is tetrakis(propan-2-olate);zirconium(4+).

Molecular Properties

Compound Nametetrakis(propan-2-olate);zirconium(4+)
PubChem CID3083750
Molecular FormulaC12H28O4Zr
Molecular Weight327.58 g/mol
Exact Mass326.10
IUPAC Nametetrakis(propan-2-olate);zirconium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]
InChIInChI=1S/4C3H7O.Zr/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
InChIKeyZGSOBQAJAUGRBK-UHFFFAOYSA-N
XLogP-0.98
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.58
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(propan-2-olate);zirconium(4+)?
The IUPAC name of tetrakis(propan-2-olate);zirconium(4+) (CID 3083750) is tetrakis(propan-2-olate);zirconium(4+).
What is the SMILES notation for tetrakis(propan-2-olate);zirconium(4+)?
The canonical SMILES for tetrakis(propan-2-olate);zirconium(4+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4].
What is the InChIKey of tetrakis(propan-2-olate);zirconium(4+)?
The InChIKey is ZGSOBQAJAUGRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H7O.Zr/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(propan-2-olate);zirconium(4+)?
tetrakis(propan-2-olate);zirconium(4+) has a molecular weight of 327.58 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(propan-2-olate);zirconium(4+) is sourced from PubChem (CID 3083750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).