methanolate;zirconium(4+);hydroxide

C3H10O4Zr — CID 175748691

IUPACmethanolate;zirconium(4+);hydroxide
SMILESC[O-].C[O-].C[O-].[OH-].[Zr+4]
InChIInChI=1S/3CH3O.H2O.Zr/c3*1-2;;/h3*1H3;1H2;/q3*-1;;+4/p-1
InChIKeyKEJBKUIRZXTDOT-UHFFFAOYSA-M
MW201.33 g/mol
LogP-3.25
Rot. Bonds

About methanolate;zirconium(4+);hydroxide

methanolate;zirconium(4+);hydroxide (PubChem CID 175748691) has the molecular formula C3H10O4Zr and a molecular weight of 201.33 g/mol. Its IUPAC name is methanolate;zirconium(4+);hydroxide.

Molecular Properties

Compound Namemethanolate;zirconium(4+);hydroxide
PubChem CID175748691
Molecular FormulaC3H10O4Zr
Molecular Weight201.33 g/mol
Exact Mass199.96
IUPAC Namemethanolate;zirconium(4+);hydroxide
SMILESC[O-].C[O-].C[O-].[OH-].[Zr+4]
InChIInChI=1S/3CH3O.H2O.Zr/c3*1-2;;/h3*1H3;1H2;/q3*-1;;+4/p-1
InChIKeyKEJBKUIRZXTDOT-UHFFFAOYSA-M
XLogP-3.25
TPSA99.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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mercury(1+);methanolate
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Frequently Asked Questions

What is the IUPAC name of methanolate;zirconium(4+);hydroxide?
The IUPAC name of methanolate;zirconium(4+);hydroxide (CID 175748691) is methanolate;zirconium(4+);hydroxide.
What is the SMILES notation for methanolate;zirconium(4+);hydroxide?
The canonical SMILES for methanolate;zirconium(4+);hydroxide is C[O-].C[O-].C[O-].[OH-].[Zr+4].
What is the InChIKey of methanolate;zirconium(4+);hydroxide?
The InChIKey is KEJBKUIRZXTDOT-UHFFFAOYSA-M. The full InChI is InChI=1S/3CH3O.H2O.Zr/c3*1-2;;/h3*1H3;1H2;/q3*-1;;+4/p-1.
What are the key properties of methanolate;zirconium(4+);hydroxide?
methanolate;zirconium(4+);hydroxide has a molecular weight of 201.33 g/mol, XLogP of -3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;zirconium(4+);hydroxide is sourced from PubChem (CID 175748691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).