tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate

H16Cl4O12Zr3 — CID 22599078

IUPACtetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate
SMILESO.O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/4ClH.8H2O.4O.3Zr/h4*1H;8*1H2;;;;;;;/q;;;;;;;;;;;;4*-2;3*+4/p-4
InChIKeyPMINNWDVARFRFO-UHFFFAOYSA-J
MW623.60 g/mol
LogP-19.06
Rot. Bonds

About tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate

tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate (PubChem CID 22599078) has the molecular formula H16Cl4O12Zr3 and a molecular weight of 623.60 g/mol. Its IUPAC name is tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate.

Molecular Properties

Compound Nametetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate
PubChem CID22599078
Molecular FormulaH16Cl4O12Zr3
Molecular Weight623.60 g/mol
Exact Mass617.65
IUPAC Nametetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate
SMILESO.O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/4ClH.8H2O.4O.3Zr/h4*1H;8*1H2;;;;;;;/q;;;;;;;;;;;;4*-2;3*+4/p-4
InChIKeyPMINNWDVARFRFO-UHFFFAOYSA-J
XLogP-19.06
TPSA366.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.60
LogP ≤ 5-19.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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cesium;oxygen(2-);zirconium(4+)
CID 158661809
chromium(3+);chloride;hexahydrate
CID 22222462
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CID 139064321
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Frequently Asked Questions

What is the IUPAC name of tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate?
The IUPAC name of tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate (CID 22599078) is tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate.
What is the SMILES notation for tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate?
The canonical SMILES for tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate is O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4].[Zr+4].
What is the InChIKey of tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate?
The InChIKey is PMINNWDVARFRFO-UHFFFAOYSA-J. The full InChI is InChI=1S/4ClH.8H2O.4O.3Zr/h4*1H;8*1H2;;;;;;;/q;;;;;;;;;;;;4*-2;3*+4/p-4.
What are the key properties of tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate?
tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate has a molecular weight of 623.60 g/mol, XLogP of -19.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(oxygen(2-));tris(zirconium(4+));tetrachloride;octahydrate is sourced from PubChem (CID 22599078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).