cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate

C32H44CoN2O6 — CID 159980063

About cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate

cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate (PubChem CID 159980063) has the molecular formula C32H44CoN2O6 and a molecular weight of 611.65 g/mol. Its IUPAC name is cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate
• PubChem CID: 159980063
• Molecular Formula: C32H44CoN2O6
• Molecular Weight: 611.65 g/mol
• Exact Mass: 611.25
• IUPAC Name: cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].Cc1cc(/C=N/C2CCCC(/N=C/c3cc(C)cc(C(C)C)c3O)C2)c(O)c(C(C)C)c1.[Co+2]
• InChI: InChI=1S/C28H38N2O2.2C2H4O2.Co/c1-17(2)25-12-19(5)10-21(27(25)31)15-29-23-8-7-9-24(14-23)30-16-22-11-20(6)13-26(18(3)4)28(22)32;2*1-2(3)4;/h10-13,15-18,23-24,31-32H,7-9,14H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b29-15+,30-16+
• InChIKey: OFQKFNSQLRPFAV-BPYSVZAYSA-L
• XLogP: 4.32
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.65
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate?

The IUPAC name of cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate (CID 159980063) is cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate.

What is the SMILES notation for cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate?

The canonical SMILES for cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cc(/C=N/C2CCCC(/N=C/c3cc(C)cc(C(C)C)c3O)C2)c(O)c(C(C)C)c1.[Co+2].

What is the InChIKey of cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate?

The InChIKey is OFQKFNSQLRPFAV-BPYSVZAYSA-L. The full InChI is InChI=1S/C28H38N2O2.2C2H4O2.Co/c1-17(2)25-12-19(5)10-21(27(25)31)15-29-23-8-7-9-24(14-23)30-16-22-11-20(6)13-26(18(3)4)28(22)32;2*1-2(3)4;/h10-13,15-18,23-24,31-32H,7-9,14H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b29-15+,30-16+;;;.

What are the key properties of cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate?

cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate has a molecular weight of 611.65 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate is sourced from PubChem (CID 159980063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).