ethanolate;hydride;zirconium(4+)

C6H16O3Zr — CID 18688150

IUPACethanolate;hydride;zirconium(4+)
SMILESCC[O-].CC[O-].CC[O-].[H-].[Zr+4]
InChIInChI=1S/3C2H5O.Zr.H/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+4;-1
InChIKeyZCYNQBILMQUQGG-UHFFFAOYSA-N
MW227.41 g/mol
LogP-1.79
Rot. Bonds

About ethanolate;hydride;zirconium(4+)

ethanolate;hydride;zirconium(4+) (PubChem CID 18688150) has the molecular formula C6H16O3Zr and a molecular weight of 227.41 g/mol. Its IUPAC name is ethanolate;hydride;zirconium(4+).

Molecular Properties

Compound Nameethanolate;hydride;zirconium(4+)
PubChem CID18688150
Molecular FormulaC6H16O3Zr
Molecular Weight227.41 g/mol
Exact Mass226.01
IUPAC Nameethanolate;hydride;zirconium(4+)
SMILESCC[O-].CC[O-].CC[O-].[H-].[Zr+4]
InChIInChI=1S/3C2H5O.Zr.H/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+4;-1
InChIKeyZCYNQBILMQUQGG-UHFFFAOYSA-N
XLogP-1.79
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.41
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanolate;hydride;zirconium(4+)?
The IUPAC name of ethanolate;hydride;zirconium(4+) (CID 18688150) is ethanolate;hydride;zirconium(4+).
What is the SMILES notation for ethanolate;hydride;zirconium(4+)?
The canonical SMILES for ethanolate;hydride;zirconium(4+) is CC[O-].CC[O-].CC[O-].[H-].[Zr+4].
What is the InChIKey of ethanolate;hydride;zirconium(4+)?
The InChIKey is ZCYNQBILMQUQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O.Zr.H/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;+4;-1.
What are the key properties of ethanolate;hydride;zirconium(4+)?
ethanolate;hydride;zirconium(4+) has a molecular weight of 227.41 g/mol, XLogP of -1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;hydride;zirconium(4+) is sourced from PubChem (CID 18688150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).