tris(2-methylpropan-1-olate);zirconium(3+)

C12H27O3Zr — CID 175879819

IUPACtris(2-methylpropan-1-olate);zirconium(3+)
SMILESCC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[Zr+3]
InChIInChI=1S/3C4H9O.Zr/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyQUJCLDNRPFEKKJ-UHFFFAOYSA-N
MW310.57 g/mol
LogP0.01
Rot. Bonds3

About tris(2-methylpropan-1-olate);zirconium(3+)

tris(2-methylpropan-1-olate);zirconium(3+) (PubChem CID 175879819) has the molecular formula C12H27O3Zr and a molecular weight of 310.57 g/mol. Its IUPAC name is tris(2-methylpropan-1-olate);zirconium(3+).

Molecular Properties

Compound Nametris(2-methylpropan-1-olate);zirconium(3+)
PubChem CID175879819
Molecular FormulaC12H27O3Zr
Molecular Weight310.57 g/mol
Exact Mass309.10
IUPAC Nametris(2-methylpropan-1-olate);zirconium(3+)
SMILESCC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[Zr+3]
InChIInChI=1S/3C4H9O.Zr/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyQUJCLDNRPFEKKJ-UHFFFAOYSA-N
XLogP0.01
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.57
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
CID 170782885
magnesium;2-methylpropan-1-olate;propane
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potassium;2-methylpropan-1-ol;2-methylpropan-1-olate
CID 23676528
diazanium;2-methylpropan-1-olate;nitrate
CID 141168982
benzene;tris(2-methylpropan-1-olate);titanium(4+)
CID 162265312
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
tetrakis(2-methylbutan-1-olate);titanium(4+)
CID 22496767
sodium 2-methylbutan-1-olate
CID 23683800
ethanolate;tetrakis(propan-2-olate);bis(silicon(4+))
CID 158885954
aluminum;bis(2-methylpropan-1-olate);octadecanoate
CID 102269418

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropan-1-olate);zirconium(3+)?
The IUPAC name of tris(2-methylpropan-1-olate);zirconium(3+) (CID 175879819) is tris(2-methylpropan-1-olate);zirconium(3+).
What is the SMILES notation for tris(2-methylpropan-1-olate);zirconium(3+)?
The canonical SMILES for tris(2-methylpropan-1-olate);zirconium(3+) is CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[Zr+3].
What is the InChIKey of tris(2-methylpropan-1-olate);zirconium(3+)?
The InChIKey is QUJCLDNRPFEKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Zr/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3.
What are the key properties of tris(2-methylpropan-1-olate);zirconium(3+)?
tris(2-methylpropan-1-olate);zirconium(3+) has a molecular weight of 310.57 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropan-1-olate);zirconium(3+) is sourced from PubChem (CID 175879819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).