cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)

C28H36CoN2O4 — CID 139206912

IUPACcobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)
SMILESCOc1cccc(/C=N/C2CCCCC2)c1[O-].COc1cccc(/C=N/C2CCCCC2)c1[O-].[Co+2]
InChIInChI=1S/2C14H19NO2.Co/c2*1-17-13-9-5-6-11(14(13)16)10-15-12-7-3-2-4-8-12;/h2*5-6,9-10,12,16H,2-4,7-8H2,1H3;/q;;+2/p-2/b2*15-10+;
InChIKeyUWBZSGXWIKRURU-ZQSWXEMLSA-L
MW523.54 g/mol
LogP5.04
Rot. Bonds6

About cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)

cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate) (PubChem CID 139206912) has the molecular formula C28H36CoN2O4 and a molecular weight of 523.54 g/mol. Its IUPAC name is cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate).

Molecular Properties

Compound Namecobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)
PubChem CID139206912
Molecular FormulaC28H36CoN2O4
Molecular Weight523.54 g/mol
Exact Mass523.20
IUPAC Namecobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)
SMILESCOc1cccc(/C=N/C2CCCCC2)c1[O-].COc1cccc(/C=N/C2CCCCC2)c1[O-].[Co+2]
InChIInChI=1S/2C14H19NO2.Co/c2*1-17-13-9-5-6-11(14(13)16)10-15-12-7-3-2-4-8-12;/h2*5-6,9-10,12,16H,2-4,7-8H2,1H3;/q;;+2/p-2/b2*15-10+;
InChIKeyUWBZSGXWIKRURU-ZQSWXEMLSA-L
XLogP5.04
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)
CID 139072232
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11268143
heptakis(cobalt(2+));hexakis(2-methoxy-6-(methyliminomethyl)phenolate);hexahydroxide;dinitrate
CID 139158186
zinc bis(2-(cyclohexyliminomethyl)phenolate)
CID 139067866
dicopper;potassium;bis(2-ethoxy-6-[[(1R,2R)-2-[(3-ethoxy-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate);methanol;bromide
CID 139197509
N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137062424
N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine
CID 71097189
bis(2-[[4-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-hydroxyphenolate);2-hydroxy-6-[[4-[(3-hydroxy-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;titanium
CID 135987887
zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
CID 139072510
bis(2-tert-butyl-6-(cyclohexyliminomethyl)phenol);dichlorozirconium
CID 139252629
2-(cyclohexylmethoxy)-3-methoxybenzaldehyde
CID 43471351
zinc;N'-[(E)-(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidothioate;hydrate
CID 172986565

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)?
The IUPAC name of cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate) (CID 139206912) is cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate).
What is the SMILES notation for cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)?
The canonical SMILES for cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate) is COc1cccc(/C=N/C2CCCCC2)c1[O-].COc1cccc(/C=N/C2CCCCC2)c1[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)?
The InChIKey is UWBZSGXWIKRURU-ZQSWXEMLSA-L. The full InChI is InChI=1S/2C14H19NO2.Co/c2*1-17-13-9-5-6-11(14(13)16)10-15-12-7-3-2-4-8-12;/h2*5-6,9-10,12,16H,2-4,7-8H2,1H3;/q;;+2/p-2/b2*15-10+;.
What are the key properties of cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)?
cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate) has a molecular weight of 523.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate) is sourced from PubChem (CID 139206912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).