bis(undecanoate);zirconium(2+)

C22H42O4Zr — CID 18995554

IUPACbis(undecanoate);zirconium(2+)
SMILESCCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Zr+2]
InChIInChI=1S/2C11H22O2.Zr/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2-10H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyJBYBXUSWLAVAOP-UHFFFAOYSA-L
MW461.80 g/mol
LogP4.53
Rot. Bonds18

About bis(undecanoate);zirconium(2+)

bis(undecanoate);zirconium(2+) (PubChem CID 18995554) has the molecular formula C22H42O4Zr and a molecular weight of 461.80 g/mol. Its IUPAC name is bis(undecanoate);zirconium(2+).

Molecular Properties

Compound Namebis(undecanoate);zirconium(2+)
PubChem CID18995554
Molecular FormulaC22H42O4Zr
Molecular Weight461.80 g/mol
Exact Mass460.21
IUPAC Namebis(undecanoate);zirconium(2+)
SMILESCCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Zr+2]
InChIInChI=1S/2C11H22O2.Zr/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2-10H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyJBYBXUSWLAVAOP-UHFFFAOYSA-L
XLogP4.53
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.80
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 23623890
CID 23623890
octadecanoate
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magnesium;docosanoate;octadecanoate
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decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738
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CID 23501641

Frequently Asked Questions

What is the IUPAC name of bis(undecanoate);zirconium(2+)?
The IUPAC name of bis(undecanoate);zirconium(2+) (CID 18995554) is bis(undecanoate);zirconium(2+).
What is the SMILES notation for bis(undecanoate);zirconium(2+)?
The canonical SMILES for bis(undecanoate);zirconium(2+) is CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Zr+2].
What is the InChIKey of bis(undecanoate);zirconium(2+)?
The InChIKey is JBYBXUSWLAVAOP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H22O2.Zr/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2-10H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of bis(undecanoate);zirconium(2+)?
bis(undecanoate);zirconium(2+) has a molecular weight of 461.80 g/mol, XLogP of 4.53, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(undecanoate);zirconium(2+) is sourced from PubChem (CID 18995554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).