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 Name | cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate |
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| PubChem CID | 173033910 |
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| Molecular Formula | C35H50CoN2O6 |
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| Molecular Weight | 653.73 g/mol |
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| Exact Mass | 653.30 |
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| IUPAC Name | cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate |
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| SMILES | 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] |
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| InChI | 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+;;; |
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| InChIKey | CVNCFEMCSNSQNS-XIOJPLMTSA-L |
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| XLogP | 4.86 |
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| TPSA | 145.44 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 653.73 |
| LogP ≤ 5 | 4.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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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).