cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate

C31H46CoN2O6Si2 — CID 173033867

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

cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate (PubChem CID 173033867) has the molecular formula C31H46CoN2O6Si2 and a molecular weight of 657.82 g/mol. Its IUPAC name is cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
• PubChem CID: 173033867
• Molecular Formula: C31H46CoN2O6Si2
• Molecular Weight: 657.82 g/mol
• Exact Mass: 657.22
• IUPAC Name: cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/C2CCCC2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2]
• InChI: InChI=1S/C27H40N2O2Si2.2C2H4O2.Co/c1-18-12-22(32(3,4)5)14-20(26(18)30)16-28-24-10-9-11-25(24)29-17-21-15-23(33(6,7)8)13-19(2)27(21)31;2*1-2(3)4;/h12-17,24-25,30-31H,9-11H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b28-16+,29-17+
• InChIKey: UOKLMUMKNAZSJO-QWYDHZSYSA-L
• XLogP: 2.77
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.82
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?

The IUPAC name of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate (CID 173033867) is cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate.

What is the SMILES notation for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?

The canonical SMILES for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/C2CCCC2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2].

What is the InChIKey of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?

The InChIKey is UOKLMUMKNAZSJO-QWYDHZSYSA-L. The full InChI is InChI=1S/C27H40N2O2Si2.2C2H4O2.Co/c1-18-12-22(32(3,4)5)14-20(26(18)30)16-28-24-10-9-11-25(24)29-17-21-15-23(33(6,7)8)13-19(2)27(21)31;2*1-2(3)4;/h12-17,24-25,30-31H,9-11H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b28-16+,29-17+;;;.

What are the key properties of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?

cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate has a molecular weight of 657.82 g/mol, XLogP of 2.77, 6 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-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate is sourced from PubChem (CID 173033867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).