decylazanide;zirconium(3+);dichloride

C10H22Cl2NZr — CID 161293267

IUPACdecylazanide;zirconium(3+);dichloride
SMILESCCCCCCCCCC[NH-].[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C10H22N.2ClH.Zr/c1-2-3-4-5-6-7-8-9-10-11;;;/h11H,2-10H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyQAGMYKXFYGNGKJ-UHFFFAOYSA-L
MW318.42 g/mol
LogP-1.82
Rot. Bonds8

About decylazanide;zirconium(3+);dichloride

decylazanide;zirconium(3+);dichloride (PubChem CID 161293267) has the molecular formula C10H22Cl2NZr and a molecular weight of 318.42 g/mol. Its IUPAC name is decylazanide;zirconium(3+);dichloride.

Molecular Properties

Compound Namedecylazanide;zirconium(3+);dichloride
PubChem CID161293267
Molecular FormulaC10H22Cl2NZr
Molecular Weight318.42 g/mol
Exact Mass316.02
IUPAC Namedecylazanide;zirconium(3+);dichloride
SMILESCCCCCCCCCC[NH-].[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C10H22N.2ClH.Zr/c1-2-3-4-5-6-7-8-9-10-11;;;/h11H,2-10H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyQAGMYKXFYGNGKJ-UHFFFAOYSA-L
XLogP-1.82
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of decylazanide;zirconium(3+);dichloride?
The IUPAC name of decylazanide;zirconium(3+);dichloride (CID 161293267) is decylazanide;zirconium(3+);dichloride.
What is the SMILES notation for decylazanide;zirconium(3+);dichloride?
The canonical SMILES for decylazanide;zirconium(3+);dichloride is CCCCCCCCCC[NH-].[Cl-].[Cl-].[Zr+3].
What is the InChIKey of decylazanide;zirconium(3+);dichloride?
The InChIKey is QAGMYKXFYGNGKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H22N.2ClH.Zr/c1-2-3-4-5-6-7-8-9-10-11;;;/h11H,2-10H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of decylazanide;zirconium(3+);dichloride?
decylazanide;zirconium(3+);dichloride has a molecular weight of 318.42 g/mol, XLogP of -1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decylazanide;zirconium(3+);dichloride is sourced from PubChem (CID 161293267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).