copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)

C26H32CuN2O4 — CID 139072232

IUPACcopper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)
SMILESCOc1cccc(/C=N/C2CCCC2)c1[O-].COc1cccc(/C=N/C2CCCC2)c1[O-].[Cu+2]
InChIInChI=1S/2C13H17NO2.Cu/c2*1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11;/h2*4-5,8-9,11,15H,2-3,6-7H2,1H3;/q;;+2/p-2/b2*14-9+;
InChIKeyHIHYQBSZVITTEV-ZNVPEIAMSA-L
MW500.10 g/mol
LogP4.26
Rot. Bonds6

About copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)

copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate) (PubChem CID 139072232) has the molecular formula C26H32CuN2O4 and a molecular weight of 500.10 g/mol. Its IUPAC name is copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate).

Molecular Properties

Compound Namecopper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)
PubChem CID139072232
Molecular FormulaC26H32CuN2O4
Molecular Weight500.10 g/mol
Exact Mass499.17
IUPAC Namecopper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)
SMILESCOc1cccc(/C=N/C2CCCC2)c1[O-].COc1cccc(/C=N/C2CCCC2)c1[O-].[Cu+2]
InChIInChI=1S/2C13H17NO2.Cu/c2*1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11;/h2*4-5,8-9,11,15H,2-3,6-7H2,1H3;/q;;+2/p-2/b2*14-9+;
InChIKeyHIHYQBSZVITTEV-ZNVPEIAMSA-L
XLogP4.26
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.10
LogP ≤ 54.26
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

cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)
CID 139206912
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11268143
dicopper;potassium;bis(2-ethoxy-6-[[(1R,2R)-2-[(3-ethoxy-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate);methanol;bromide
CID 139197509
heptakis(cobalt(2+));hexakis(2-methoxy-6-(methyliminomethyl)phenolate);hexahydroxide;dinitrate
CID 139158186
zinc bis(2-(cyclohexyliminomethyl)phenolate)
CID 139067866
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
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
zinc;N'-[(E)-(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidothioate;hydrate
CID 172986565
bis(gadolinium(3+));bis(2-methoxy-6-[2-[2-(3-methoxy-2-oxidophenyl)-3-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyliminomethyl]phenolate)
CID 139196879
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
CID 135708289

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)?
The IUPAC name of copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate) (CID 139072232) is copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate).
What is the SMILES notation for copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)?
The canonical SMILES for copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate) is COc1cccc(/C=N/C2CCCC2)c1[O-].COc1cccc(/C=N/C2CCCC2)c1[O-].[Cu+2].
What is the InChIKey of copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)?
The InChIKey is HIHYQBSZVITTEV-ZNVPEIAMSA-L. The full InChI is InChI=1S/2C13H17NO2.Cu/c2*1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11;/h2*4-5,8-9,11,15H,2-3,6-7H2,1H3;/q;;+2/p-2/b2*14-9+;.
What are the key properties of copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)?
copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate) has a molecular weight of 500.10 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate) is sourced from PubChem (CID 139072232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).