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

C39H60CoN2O6 — CID 157250828

IUPACcobalt;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
SMILESC.CCCCC(C)(CCCC)c1cc(/C=N/C2CC2/N=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1.O=C(O)C(=O)O.[Co]
InChIInChI=1S/C36H54N2O2.C2H2O4.CH4.Co/c1-10-12-14-36(9,15-13-11-2)29-17-28(35(40)31(19-29)25(7)8)22-38-33-20-32(33)37-21-27-16-26(23(3)4)18-30(24(5)6)34(27)39;3-1(4)2(5)6;;/h16-19,21-25,32-33,39-40H,10-15,20H2,1-9H3;(H,3,4)(H,5,6);1H4;/b37-21+,38-22+;;;
InChIKeyLDHPUKOXSCTAPI-BUAHPEKYSA-N
MW711.85 g/mol
LogP9.57
Rot. Bonds14

About 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

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 (PubChem CID 157250828) has the molecular formula C39H60CoN2O6 and a molecular weight of 711.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecobalt;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
PubChem CID157250828
Molecular FormulaC39H60CoN2O6
Molecular Weight711.85 g/mol
Exact Mass711.38
IUPAC Namecobalt;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
SMILESC.CCCCC(C)(CCCC)c1cc(/C=N/C2CC2/N=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1.O=C(O)C(=O)O.[Co]
InChIInChI=1S/C36H54N2O2.C2H2O4.CH4.Co/c1-10-12-14-36(9,15-13-11-2)29-17-28(35(40)31(19-29)25(7)8)22-38-33-20-32(33)37-21-27-16-26(23(3)4)18-30(24(5)6)34(27)39;3-1(4)2(5)6;;/h16-19,21-25,32-33,39-40H,10-15,20H2,1-9H3;(H,3,4)(H,5,6);1H4;/b37-21+,38-22+;;;
InChIKeyLDHPUKOXSCTAPI-BUAHPEKYSA-N
XLogP9.57
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.85
LogP ≤ 59.57
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-[[2-hydroxy-5-(5-methylnonan-5-yl)-3-propan-2-ylphenyl]methylideneamino]cyclopropyl]iminomethyl]-4,6-di(propan-2-yl)phenol;methane;oxalic acid with MolForge

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Related Compounds

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
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
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
carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol
CID 159073662
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
CID 162227805
CID 162227805
4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol
CID 137037033
4-(1,7-diiodoheptan-4-yl)-2-[[(1S,2S)-2-[[5-(1,7-diiodoheptan-4-yl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-propan-2-ylphenol
CID 136671755
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propan-2-ylphenol
CID 137091613
2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol
CID 158335728
2-hexan-2-yl-4,6-di(propan-2-yl)phenol
CID 154085005

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CCCCC(C)(CCCC)c1cc(/C=N/C2CC2/N=C/c2cc(C(C)C)cc(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-[[2-hydroxy-5-(5-methylnonan-5-yl)-3-propan-2-ylphenyl]methylideneamino]cyclopropyl]iminomethyl]-4,6-di(propan-2-yl)phenol;methane;oxalic acid?
The InChIKey is LDHPUKOXSCTAPI-BUAHPEKYSA-N. The full InChI is InChI=1S/C36H54N2O2.C2H2O4.CH4.Co/c1-10-12-14-36(9,15-13-11-2)29-17-28(35(40)31(19-29)25(7)8)22-38-33-20-32(33)37-21-27-16-26(23(3)4)18-30(24(5)6)34(27)39;3-1(4)2(5)6;;/h16-19,21-25,32-33,39-40H,10-15,20H2,1-9H3;(H,3,4)(H,5,6);1H4;/b37-21+,38-22+;;;.
What are the key properties of 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?
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 has a molecular weight of 711.85 g/mol, XLogP of 9.57, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157250828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).