cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate

C35H50CoN2O6 — CID 173033910

IUPACcobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc(CCC(C)C)cc(/C=N/C2CCCC2/N=C/c2cc(CCC(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C31H44N2O2.2C2H4O2.Co/c1-20(2)10-12-24-14-22(5)30(34)26(16-24)18-32-28-8-7-9-29(28)33-19-27-17-25(13-11-21(3)4)15-23(6)31(27)35;2*1-2(3)4;/h14-21,28-29,34-35H,7-13H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b32-18+,33-19+;;;
InChIKeyCVNCFEMCSNSQNS-XIOJPLMTSA-L
MW653.73 g/mol
LogP4.86
Rot. Bonds10

About cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate

cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate (PubChem CID 173033910) has the molecular formula C35H50CoN2O6 and a molecular weight of 653.73 g/mol. Its IUPAC name is cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
PubChem CID173033910
Molecular FormulaC35H50CoN2O6
Molecular Weight653.73 g/mol
Exact Mass653.30
IUPAC Namecobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc(CCC(C)C)cc(/C=N/C2CCCC2/N=C/c2cc(CCC(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C31H44N2O2.2C2H4O2.Co/c1-20(2)10-12-24-14-22(5)30(34)26(16-24)18-32-28-8-7-9-29(28)33-19-27-17-25(13-11-21(3)4)15-23(6)31(27)35;2*1-2(3)4;/h14-21,28-29,34-35H,7-13H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b32-18+,33-19+;;;
InChIKeyCVNCFEMCSNSQNS-XIOJPLMTSA-L
XLogP4.86
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.73
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate with MolForge

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Related Compounds

(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine
CID 2733339
6,6'-((Ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-di-tert-butylphenol)
CID 1897040
(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)
CID 135407637
(S,S)-(+)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine
CID 135415899
(S,S)-(+)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)
CID 135572263
6,6'-((1E,1'E)-((2,3-Dimethylbutane-2,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol)
CID 135404188
(1S,2S)-(+)-1,2-Cyclohexanediamino-N,N'-bis(3,5-DI-T-butylsalicylidene)cobalt(II)
CID 135450875
(R,R)-(-)-N,N-Bis(3,5-DI-Tert-Butylsalicylidene)-1,2-Cyclohexanediamine
CID 3385181
2,4-ditert-butyl-6-[[(2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135509879
N,N'-Bis(3-tert-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine
CID 135516536
2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol
CID 135972595
(SP-5-13)-(ACETATO-KappaO)[[2,2'-[(1S,2S)-1,2-CYCLOHEXANEDIYLBIS[(NITRILO-KappaN)METHYLIDYNE]]BIS[4,6-BIS(1,1-DIMETHYLETHYL)PHENOLATO-KappaO]](2-)]COBALT
CID 136101773

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?
The IUPAC name of cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate (CID 173033910) is cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate.
What is the SMILES notation for cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?
The canonical SMILES for cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cc(CCC(C)C)cc(/C=N/C2CCCC2/N=C/c2cc(CCC(C)C)cc(C)c2O)c1O.[Co+2].
What is the InChIKey of cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?
The InChIKey is CVNCFEMCSNSQNS-XIOJPLMTSA-L. The full InChI is InChI=1S/C31H44N2O2.2C2H4O2.Co/c1-20(2)10-12-24-14-22(5)30(34)26(16-24)18-32-28-8-7-9-29(28)33-19-27-17-25(13-11-21(3)4)15-23(6)31(27)35;2*1-2(3)4;/h14-21,28-29,34-35H,7-13H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b32-18+,33-19+;;;.
What are the key properties of cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?
cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate has a molecular weight of 653.73 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate is sourced from PubChem (CID 173033910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).