cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate

C30H34CoF6N2O6 — CID 173034040

IUPACcobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCc1cc(C(F)(F)F)cc(/C=N/C2CCCCC2/N=C/c2cc(C(F)(F)F)cc(CC)c2O)c1O.[Co+2]
InChIInChI=1S/C26H28F6N2O2.2C2H4O2.Co/c1-3-15-9-19(25(27,28)29)11-17(23(15)35)13-33-21-7-5-6-8-22(21)34-14-18-12-20(26(30,31)32)10-16(4-2)24(18)36;2*1-2(3)4;/h9-14,21-22,35-36H,3-8H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-13+,34-14+;;;
InChIKeyRLTKYYZOFLDORI-MRYCDOPVSA-L
MW691.53 g/mol
LogP4.62
Rot. Bonds6

About cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate

cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate (PubChem CID 173034040) has the molecular formula C30H34CoF6N2O6 and a molecular weight of 691.53 g/mol. Its IUPAC name is cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate
PubChem CID173034040
Molecular FormulaC30H34CoF6N2O6
Molecular Weight691.53 g/mol
Exact Mass691.17
IUPAC Namecobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCc1cc(C(F)(F)F)cc(/C=N/C2CCCCC2/N=C/c2cc(C(F)(F)F)cc(CC)c2O)c1O.[Co+2]
InChIInChI=1S/C26H28F6N2O2.2C2H4O2.Co/c1-3-15-9-19(25(27,28)29)11-17(23(15)35)13-33-21-7-5-6-8-22(21)34-14-18-12-20(26(30,31)32)10-16(4-2)24(18)36;2*1-2(3)4;/h9-14,21-22,35-36H,3-8H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-13+,34-14+;;;
InChIKeyRLTKYYZOFLDORI-MRYCDOPVSA-L
XLogP4.62
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500691.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
CID 160753336
cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408
cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
CID 159447918
cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol;diacetate
CID 160741101
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-3-[(dimethylamino)methyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-[(dimethylamino)methyl]phenol
CID 136912073
2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137090771
cobalt(2+);2-ethyl-6-[[4-[(3-ethyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol;diacetate
CID 159395271
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
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-ethylphenol;diacetate
CID 161045530
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-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
cobalt(2+);2-ethyl-6-[[3-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-propan-2-ylphenol;diacetate
CID 173034011

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate?
The IUPAC name of cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate (CID 173034040) is cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate.
What is the SMILES notation for cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate?
The canonical SMILES for cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate is CC(=O)[O-].CC(=O)[O-].CCc1cc(C(F)(F)F)cc(/C=N/C2CCCCC2/N=C/c2cc(C(F)(F)F)cc(CC)c2O)c1O.[Co+2].
What is the InChIKey of cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate?
The InChIKey is RLTKYYZOFLDORI-MRYCDOPVSA-L. The full InChI is InChI=1S/C26H28F6N2O2.2C2H4O2.Co/c1-3-15-9-19(25(27,28)29)11-17(23(15)35)13-33-21-7-5-6-8-22(21)34-14-18-12-20(26(30,31)32)10-16(4-2)24(18)36;2*1-2(3)4;/h9-14,21-22,35-36H,3-8H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-13+,34-14+;;;.
What are the key properties of cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate?
cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate has a molecular weight of 691.53 g/mol, XLogP of 4.62, 6 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-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate is sourced from PubChem (CID 173034040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).