trizinc;zinc;dichloride;octahydroxide

H8Cl2O8Zn5-4 — CID 165363593

IUPACtrizinc;zinc;dichloride;octahydroxide
SMILES[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn].[Zn]
InChIInChI=1S/2ClH.8H2O.5Zn/h2*1H;8*1H2;;;;;/q;;;;;;;;;;;;3*+2/p-10
InChIKeyMLVOTTDBUMOFCJ-UHFFFAOYSA-D
MW533.91 g/mol
LogP-7.42
Rot. Bonds

About trizinc;zinc;dichloride;octahydroxide

trizinc;zinc;dichloride;octahydroxide (PubChem CID 165363593) has the molecular formula H8Cl2O8Zn5-4 and a molecular weight of 533.91 g/mol. Its IUPAC name is trizinc;zinc;dichloride;octahydroxide.

Molecular Properties

Compound Nametrizinc;zinc;dichloride;octahydroxide
PubChem CID165363593
Molecular FormulaH8Cl2O8Zn5-4
Molecular Weight533.91 g/mol
Exact Mass525.61
IUPAC Nametrizinc;zinc;dichloride;octahydroxide
SMILES[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn].[Zn]
InChIInChI=1S/2ClH.8H2O.5Zn/h2*1H;8*1H2;;;;;/q;;;;;;;;;;;;3*+2/p-10
InChIKeyMLVOTTDBUMOFCJ-UHFFFAOYSA-D
XLogP-7.42
TPSA240.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.91
LogP ≤ 5-7.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trizinc;zinc;dichloride;octahydroxide?
The IUPAC name of trizinc;zinc;dichloride;octahydroxide (CID 165363593) is trizinc;zinc;dichloride;octahydroxide.
What is the SMILES notation for trizinc;zinc;dichloride;octahydroxide?
The canonical SMILES for trizinc;zinc;dichloride;octahydroxide is [Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn].[Zn].
What is the InChIKey of trizinc;zinc;dichloride;octahydroxide?
The InChIKey is MLVOTTDBUMOFCJ-UHFFFAOYSA-D. The full InChI is InChI=1S/2ClH.8H2O.5Zn/h2*1H;8*1H2;;;;;/q;;;;;;;;;;;;3*+2/p-10.
What are the key properties of trizinc;zinc;dichloride;octahydroxide?
trizinc;zinc;dichloride;octahydroxide has a molecular weight of 533.91 g/mol, XLogP of -7.42, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;zinc;dichloride;octahydroxide is sourced from PubChem (CID 165363593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).