cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid

C44H70CoN2O6 — CID 161358978

IUPACcobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid
SMILESC.CCCCC(C)(CCCC)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)C)c1.O=C(O)C(=O)O.[Co]
InChIInChI=1S/C41H64N2O2.C2H2O4.CH4.Co/c1-12-14-20-41(11,21-15-13-2)32-23-29(37(44)33(24-32)28(3)4)26-42-35-18-16-17-19-36(35)43-27-30-22-31(39(5,6)7)25-34(38(30)45)40(8,9)10;3-1(4)2(5)6;;/h22-28,35-36,44-45H,12-21H2,1-11H3;(H,3,4)(H,5,6);1H4;/b42-26+,43-27+;;;
InChIKeyMZLHLQSLEZMHPD-BJYMIRNCSA-N
MW781.98 g/mol
LogP11.09
Rot. Bonds12

About cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid

cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid (PubChem CID 161358978) has the molecular formula C44H70CoN2O6 and a molecular weight of 781.98 g/mol. Its IUPAC name is cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid.

Molecular Properties

Compound Namecobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid
PubChem CID161358978
Molecular FormulaC44H70CoN2O6
Molecular Weight781.98 g/mol
Exact Mass781.46
IUPAC Namecobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid
SMILESC.CCCCC(C)(CCCC)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)C)c1.O=C(O)C(=O)O.[Co]
InChIInChI=1S/C41H64N2O2.C2H2O4.CH4.Co/c1-12-14-20-41(11,21-15-13-2)32-23-29(37(44)33(24-32)28(3)4)26-42-35-18-16-17-19-36(35)43-27-30-22-31(39(5,6)7)25-34(38(30)45)40(8,9)10;3-1(4)2(5)6;;/h22-28,35-36,44-45H,12-21H2,1-11H3;(H,3,4)(H,5,6);1H4;/b42-26+,43-27+;;;
InChIKeyMZLHLQSLEZMHPD-BJYMIRNCSA-N
XLogP11.09
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.98
LogP ≤ 511.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid with MolForge

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Related Compounds

cobalt;2-[[2-[[2-hydroxy-5-(5-methylnonan-5-yl)-3-propan-2-ylphenyl]methylideneamino]cyclopropyl]iminomethyl]-4,6-di(propan-2-yl)phenol;methane;oxalic acid
CID 157250828
chromium;methane;propanedioic acid;tributyl-[4-[4-hydroxy-3-[[2-[[2-hydroxy-5-(5-methylnonan-5-yl)-3-propan-2-ylphenyl]methylideneamino]cyclobutyl]iminomethyl]-5-propan-2-ylphenyl]-4-methyl-7-(tributylazaniumyl)heptyl]azanium
CID 158609489
2-[[(1S,2S)-2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(5-methylnonan-5-yl)phenol
CID 158512440
4-butyl-2-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-pentan-2-ylphenol
CID 143367608
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
carbanide;cobalt;methane;propanedioic acid;tributyl-[4-[4-hydroxy-3-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-4-methyl-7-(tributylazaniumyl)heptyl]azanium
CID 159721589

Frequently Asked Questions

What is the IUPAC name of cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid?
The IUPAC name of cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid (CID 161358978) is cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid.
What is the SMILES notation for cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid?
The canonical SMILES for cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid is C.CCCCC(C)(CCCC)c1cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)C)c1.O=C(O)C(=O)O.[Co].
What is the InChIKey of cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid?
The InChIKey is MZLHLQSLEZMHPD-BJYMIRNCSA-N. The full InChI is InChI=1S/C41H64N2O2.C2H2O4.CH4.Co/c1-12-14-20-41(11,21-15-13-2)32-23-29(37(44)33(24-32)28(3)4)26-42-35-18-16-17-19-36(35)43-27-30-22-31(39(5,6)7)25-34(38(30)45)40(8,9)10;3-1(4)2(5)6;;/h22-28,35-36,44-45H,12-21H2,1-11H3;(H,3,4)(H,5,6);1H4;/b42-26+,43-27+;;;.
What are the key properties of cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid?
cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid has a molecular weight of 781.98 g/mol, XLogP of 11.09, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid is sourced from PubChem (CID 161358978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).