zinc;cobalt(2+);bis(octadecanoate)

C36H70CoO4Zn+2 — CID 159850249

IUPACzinc;cobalt(2+);bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2].[Zn+2]
InChIInChI=1S/2C18H36O2.Co.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2
InChIKeyNPVLNSVJTPKBKR-UHFFFAOYSA-L
MW691.27 g/mol
LogP9.99
Rot. Bonds32

About zinc;cobalt(2+);bis(octadecanoate)

zinc;cobalt(2+);bis(octadecanoate) (PubChem CID 159850249) has the molecular formula C36H70CoO4Zn+2 and a molecular weight of 691.27 g/mol. Its IUPAC name is zinc;cobalt(2+);bis(octadecanoate).

Molecular Properties

Compound Namezinc;cobalt(2+);bis(octadecanoate)
PubChem CID159850249
Molecular FormulaC36H70CoO4Zn+2
Molecular Weight691.27 g/mol
Exact Mass689.39
IUPAC Namezinc;cobalt(2+);bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2].[Zn+2]
InChIInChI=1S/2C18H36O2.Co.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2
InChIKeyNPVLNSVJTPKBKR-UHFFFAOYSA-L
XLogP9.99
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.27
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tetrakis(cobalt(2+));octakis(decanoate)
CID 22485854
dizinc bis(octadecanoate)
CID 21187064
cobalt(2+);bis(heptanoate)
CID 14298657
trizinc;bis(octadecanoate);dicarbonate
CID 173241774
calcium;cobalt(2+);tetrakis(octadecanoate)
CID 163980836
aluminum;zinc;pentakis(octadecanoate)
CID 157349852
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum;azanium;zinc;octadecanoate;tetradecanoate
CID 19601869
calcium;zinc;barium(2+);hexakis(octadecanoate)
CID 173338441
decanoate;lanthanum(3+)
CID 21139452

Frequently Asked Questions

What is the IUPAC name of zinc;cobalt(2+);bis(octadecanoate)?
The IUPAC name of zinc;cobalt(2+);bis(octadecanoate) (CID 159850249) is zinc;cobalt(2+);bis(octadecanoate).
What is the SMILES notation for zinc;cobalt(2+);bis(octadecanoate)?
The canonical SMILES for zinc;cobalt(2+);bis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2].[Zn+2].
What is the InChIKey of zinc;cobalt(2+);bis(octadecanoate)?
The InChIKey is NPVLNSVJTPKBKR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.Co.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2.
What are the key properties of zinc;cobalt(2+);bis(octadecanoate)?
zinc;cobalt(2+);bis(octadecanoate) has a molecular weight of 691.27 g/mol, XLogP of 9.99, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;cobalt(2+);bis(octadecanoate) is sourced from PubChem (CID 159850249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).