hydride;methanolate;zirconium(4+)

CH6OZr — CID 18688521

IUPAChydride;methanolate;zirconium(4+)
SMILESC[O-].[H-].[H-].[H-].[Zr+4]
InChIInChI=1S/CH3O.Zr.3H/c1-2;;;;/h1H3;;;;/q-1;+4;3*-1
InChIKeyZRSUFYDXFDQLLH-UHFFFAOYSA-N
MW125.28 g/mol
LogP-0.69
Rot. Bonds

About hydride;methanolate;zirconium(4+)

hydride;methanolate;zirconium(4+) (PubChem CID 18688521) has the molecular formula CH6OZr and a molecular weight of 125.28 g/mol. Its IUPAC name is hydride;methanolate;zirconium(4+).

Molecular Properties

Compound Namehydride;methanolate;zirconium(4+)
PubChem CID18688521
Molecular FormulaCH6OZr
Molecular Weight125.28 g/mol
Exact Mass123.95
IUPAC Namehydride;methanolate;zirconium(4+)
SMILESC[O-].[H-].[H-].[H-].[Zr+4]
InChIInChI=1S/CH3O.Zr.3H/c1-2;;;;/h1H3;;;;/q-1;+4;3*-1
InChIKeyZRSUFYDXFDQLLH-UHFFFAOYSA-N
XLogP-0.69
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hydride;methanolate;zirconium(4+)?
The IUPAC name of hydride;methanolate;zirconium(4+) (CID 18688521) is hydride;methanolate;zirconium(4+).
What is the SMILES notation for hydride;methanolate;zirconium(4+)?
The canonical SMILES for hydride;methanolate;zirconium(4+) is C[O-].[H-].[H-].[H-].[Zr+4].
What is the InChIKey of hydride;methanolate;zirconium(4+)?
The InChIKey is ZRSUFYDXFDQLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O.Zr.3H/c1-2;;;;/h1H3;;;;/q-1;+4;3*-1.
What are the key properties of hydride;methanolate;zirconium(4+)?
hydride;methanolate;zirconium(4+) has a molecular weight of 125.28 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;methanolate;zirconium(4+) is sourced from PubChem (CID 18688521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).