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

C16H36O4Zr — CID 14009702

IUPACtetrakis(butan-2-olate);zirconium(4+)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Zr+4]
InChIInChI=1S/4C4H9O.Zr/c4*1-3-4(2)5;/h4*4H,3H2,1-2H3;/q4*-1;+4
InChIKeyFFOWIEZZYLIBTD-UHFFFAOYSA-N
MW383.68 g/mol
LogP0.58
Rot. Bonds4

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

tetrakis(butan-2-olate);zirconium(4+) (PubChem CID 14009702) has the molecular formula C16H36O4Zr and a molecular weight of 383.68 g/mol. Its IUPAC name is tetrakis(butan-2-olate);zirconium(4+).

Molecular Properties

Compound Nametetrakis(butan-2-olate);zirconium(4+)
PubChem CID14009702
Molecular FormulaC16H36O4Zr
Molecular Weight383.68 g/mol
Exact Mass382.17
IUPAC Nametetrakis(butan-2-olate);zirconium(4+)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Zr+4]
InChIInChI=1S/4C4H9O.Zr/c4*1-3-4(2)5;/h4*4H,3H2,1-2H3;/q4*-1;+4
InChIKeyFFOWIEZZYLIBTD-UHFFFAOYSA-N
XLogP0.58
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(butan-2-olate);zirconium(4+)?
The IUPAC name of tetrakis(butan-2-olate);zirconium(4+) (CID 14009702) is tetrakis(butan-2-olate);zirconium(4+).
What is the SMILES notation for tetrakis(butan-2-olate);zirconium(4+)?
The canonical SMILES for tetrakis(butan-2-olate);zirconium(4+) is CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Zr+4].
What is the InChIKey of tetrakis(butan-2-olate);zirconium(4+)?
The InChIKey is FFOWIEZZYLIBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9O.Zr/c4*1-3-4(2)5;/h4*4H,3H2,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(butan-2-olate);zirconium(4+)?
tetrakis(butan-2-olate);zirconium(4+) has a molecular weight of 383.68 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butan-2-olate);zirconium(4+) is sourced from PubChem (CID 14009702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).