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

C41H56CoN2O7 — CID 161245419

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

cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate (PubChem CID 161245419) has the molecular formula C41H56CoN2O7 and a molecular weight of 747.84 g/mol. Its IUPAC name is cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate
• PubChem CID: 161245419
• Molecular Formula: C41H56CoN2O7
• Molecular Weight: 747.84 g/mol
• Exact Mass: 747.34
• IUPAC Name: cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].COc1ccc(/N=C/c2cc(CC(C)(C)C)cc(C(C)C)c2O)c(/N=C/c2cc(CC(C)(C)C)cc(C(C)C)c2O)c1.[Co+2]
• InChI: InChI=1S/C37H50N2O3.2C2H4O2.Co/c1-23(2)30-16-25(19-36(5,6)7)14-27(34(30)40)21-38-32-13-12-29(42-11)18-33(32)39-22-28-15-26(20-37(8,9)10)17-31(24(3)4)35(28)41;2*1-2(3)4;/h12-18,21-24,40-41H,19-20H2,1-11H3;2*1H3,(H,3,4);/q;;;+2/p-2/b38-21+,39-22+
• InChIKey: VAOMTNQOSLVNJH-RMELLBHSSA-L
• XLogP: 7.54
• TPSA: 154.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.84
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate (CID 161245419) is cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate.

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

The canonical SMILES for cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].COc1ccc(/N=C/c2cc(CC(C)(C)C)cc(C(C)C)c2O)c(/N=C/c2cc(CC(C)(C)C)cc(C(C)C)c2O)c1.[Co+2].

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

The InChIKey is VAOMTNQOSLVNJH-RMELLBHSSA-L. The full InChI is InChI=1S/C37H50N2O3.2C2H4O2.Co/c1-23(2)30-16-25(19-36(5,6)7)14-27(34(30)40)21-38-32-13-12-29(42-11)18-33(32)39-22-28-15-26(20-37(8,9)10)17-31(24(3)4)35(28)41;2*1-2(3)4;/h12-18,21-24,40-41H,19-20H2,1-11H3;2*1H3,(H,3,4);/q;;;+2/p-2/b38-21+,39-22+;;;.

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

cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate has a molecular weight of 747.84 g/mol, XLogP of 7.54, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate is sourced from PubChem (CID 161245419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).