cobalt;bis(hexadecanoic acid);zinc

C32H64CoO4Zn — CID 173044903

IUPACcobalt;bis(hexadecanoic acid);zinc
SMILESCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.[Co].[Zn]
InChIInChI=1S/2C16H32O2.Co.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2*2-15H2,1H3,(H,17,18);;
InChIKeyIYMGYKMFVFZQTE-UHFFFAOYSA-N
MW637.18 g/mol
LogP11.10
Rot. Bonds28

About cobalt;bis(hexadecanoic acid);zinc

cobalt;bis(hexadecanoic acid);zinc (PubChem CID 173044903) has the molecular formula C32H64CoO4Zn and a molecular weight of 637.18 g/mol. Its IUPAC name is cobalt;bis(hexadecanoic acid);zinc.

Molecular Properties

Compound Namecobalt;bis(hexadecanoic acid);zinc
PubChem CID173044903
Molecular FormulaC32H64CoO4Zn
Molecular Weight637.18 g/mol
Exact Mass635.34
IUPAC Namecobalt;bis(hexadecanoic acid);zinc
SMILESCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.[Co].[Zn]
InChIInChI=1S/2C16H32O2.Co.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2*2-15H2,1H3,(H,17,18);;
InChIKeyIYMGYKMFVFZQTE-UHFFFAOYSA-N
XLogP11.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.18
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 88843834
octadecane;octadecanoic acid;zinc
CID 175089240
bis(decanoic acid);zinc
CID 118855949
methanol;octadecanoic acid;zinc
CID 163303961
azane;octadecanoic acid;zinc
CID 175418700
iron;octadecanoic acid;zinc
CID 173220720
cobalt;nickel;octanoic acid
CID 88782516
cobalt;decanoic acid;iron
CID 175283940
hexakis(octadecanoic acid);zinc;zirconium
CID 138753420
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(hexadecanoic acid);zinc?
The IUPAC name of cobalt;bis(hexadecanoic acid);zinc (CID 173044903) is cobalt;bis(hexadecanoic acid);zinc.
What is the SMILES notation for cobalt;bis(hexadecanoic acid);zinc?
The canonical SMILES for cobalt;bis(hexadecanoic acid);zinc is CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.[Co].[Zn].
What is the InChIKey of cobalt;bis(hexadecanoic acid);zinc?
The InChIKey is IYMGYKMFVFZQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32O2.Co.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2*2-15H2,1H3,(H,17,18);;.
What are the key properties of cobalt;bis(hexadecanoic acid);zinc?
cobalt;bis(hexadecanoic acid);zinc has a molecular weight of 637.18 g/mol, XLogP of 11.10, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(hexadecanoic acid);zinc is sourced from PubChem (CID 173044903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).