cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate

C30H42CoN2O6 — CID 161219706

IUPACcobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCc1cc(C(C)C)cc(/C=N/CC/N=C/c2cc(C(C)C)cc(CC)c2O)c1O.[Co+2]
InChIInChI=1S/C26H36N2O2.2C2H4O2.Co/c1-7-19-11-21(17(3)4)13-23(25(19)29)15-27-9-10-28-16-24-14-22(18(5)6)12-20(8-2)26(24)30;2*1-2(3)4;/h11-18,29-30H,7-10H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b27-15+,28-16+;;;
InChIKeyUXIOPPOJVAJYCB-VEDJOPRVSA-L
MW585.61 g/mol
LogP3.52
Rot. Bonds9

About cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate

cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate (PubChem CID 161219706) has the molecular formula C30H42CoN2O6 and a molecular weight of 585.61 g/mol. Its IUPAC name is cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
PubChem CID161219706
Molecular FormulaC30H42CoN2O6
Molecular Weight585.61 g/mol
Exact Mass585.24
IUPAC Namecobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCc1cc(C(C)C)cc(/C=N/CC/N=C/c2cc(C(C)C)cc(CC)c2O)c1O.[Co+2]
InChIInChI=1S/C26H36N2O2.2C2H4O2.Co/c1-7-19-11-21(17(3)4)13-23(25(19)29)15-27-9-10-28-16-24-14-22(18(5)6)12-20(8-2)26(24)30;2*1-2(3)4;/h11-18,29-30H,7-10H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b27-15+,28-16+;;;
InChIKeyUXIOPPOJVAJYCB-VEDJOPRVSA-L
XLogP3.52
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.61
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
cobalt(2+);2-ethyl-6-[[3-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-propan-2-ylphenol;diacetate
CID 173034011
2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol
CID 137037419
cobalt(2+);2,4-dibutyl-6-[3-[(3,5-dibutyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;diacetate
CID 162242811
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol
CID 137143376
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
CID 135455074
cobalt(2+);2-ethyl-6-[[4-[(3-ethyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol;diacetate
CID 159395271
cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate
CID 173033959
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate?
The IUPAC name of cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate (CID 161219706) is cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate.
What is the SMILES notation for cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate?
The canonical SMILES for cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].CCc1cc(C(C)C)cc(/C=N/CC/N=C/c2cc(C(C)C)cc(CC)c2O)c1O.[Co+2].
What is the InChIKey of cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate?
The InChIKey is UXIOPPOJVAJYCB-VEDJOPRVSA-L. The full InChI is InChI=1S/C26H36N2O2.2C2H4O2.Co/c1-7-19-11-21(17(3)4)13-23(25(19)29)15-27-9-10-28-16-24-14-22(18(5)6)12-20(8-2)26(24)30;2*1-2(3)4;/h11-18,29-30H,7-10H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b27-15+,28-16+;;;.
What are the key properties of cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate?
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate has a molecular weight of 585.61 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate is sourced from PubChem (CID 161219706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).