ethanol;niobium;zirconium

C18H54NbO9Zr — CID 163206501

IUPACethanol;niobium;zirconium
SMILESCCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.[Nb].[Zr]
InChIInChI=1S/9C2H6O.Nb.Zr/c9*1-2-3;;/h9*3H,2H2,1H3;;
InChIKeyRYIWXSBXLURRDR-UHFFFAOYSA-N
MW598.75 g/mol
LogP-0.02
Rot. Bonds

About ethanol;niobium;zirconium

ethanol;niobium;zirconium (PubChem CID 163206501) has the molecular formula C18H54NbO9Zr and a molecular weight of 598.75 g/mol. Its IUPAC name is ethanol;niobium;zirconium.

Molecular Properties

Compound Nameethanol;niobium;zirconium
PubChem CID163206501
Molecular FormulaC18H54NbO9Zr
Molecular Weight598.75 g/mol
Exact Mass597.19
IUPAC Nameethanol;niobium;zirconium
SMILESCCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.[Nb].[Zr]
InChIInChI=1S/9C2H6O.Nb.Zr/c9*1-2-3;;/h9*3H,2H2,1H3;;
InChIKeyRYIWXSBXLURRDR-UHFFFAOYSA-N
XLogP-0.02
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 5-0.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;niobium;zirconium?
The IUPAC name of ethanol;niobium;zirconium (CID 163206501) is ethanol;niobium;zirconium.
What is the SMILES notation for ethanol;niobium;zirconium?
The canonical SMILES for ethanol;niobium;zirconium is CCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.[Nb].[Zr].
What is the InChIKey of ethanol;niobium;zirconium?
The InChIKey is RYIWXSBXLURRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/9C2H6O.Nb.Zr/c9*1-2-3;;/h9*3H,2H2,1H3;;.
What are the key properties of ethanol;niobium;zirconium?
ethanol;niobium;zirconium has a molecular weight of 598.75 g/mol, XLogP of -0.02, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;niobium;zirconium is sourced from PubChem (CID 163206501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).