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

C40H48CoN2O6 — CID 158037661

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

cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate (PubChem CID 158037661) has the molecular formula C40H48CoN2O6 and a molecular weight of 711.77 g/mol. Its IUPAC name is cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
• PubChem CID: 158037661
• Molecular Formula: C40H48CoN2O6
• Molecular Weight: 711.77 g/mol
• Exact Mass: 711.28
• IUPAC Name: cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].Cc1cc(CCC(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CCC(C)C)cc(C)c2O)c1O.[Co+2]
• InChI: InChI=1S/C36H42N2O2.2C2H4O2.Co/c1-23(2)11-13-27-15-25(5)35(39)31(17-27)21-37-33-19-29-9-7-8-10-30(29)20-34(33)38-22-32-18-28(14-12-24(3)4)16-26(6)36(32)40;2*1-2(3)4;/h7-10,15-24,39-40H,11-14H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b37-21+,38-22+
• InChIKey: FHYNTLPVZVWOHR-BUAHPEKYSA-L
• XLogP: 7.06
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.77
LogP ≤ 5	7.06
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-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?

The IUPAC name of cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate (CID 158037661) is cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate.

What is the SMILES notation for cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?

The canonical SMILES for cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cc(CCC(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CCC(C)C)cc(C)c2O)c1O.[Co+2].

What is the InChIKey of cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?

The InChIKey is FHYNTLPVZVWOHR-BUAHPEKYSA-L. The full InChI is InChI=1S/C36H42N2O2.2C2H4O2.Co/c1-23(2)11-13-27-15-25(5)35(39)31(17-27)21-37-33-19-29-9-7-8-10-30(29)20-34(33)38-22-32-18-28(14-12-24(3)4)16-26(6)36(32)40;2*1-2(3)4;/h7-10,15-24,39-40H,11-14H2,1-6H3;2*1H3,(H,3,4);/q;;;+2/p-2/b37-21+,38-22+;;;.

What are the key properties of cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate?

cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate has a molecular weight of 711.77 g/mol, XLogP of 7.06, 10 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-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate is sourced from PubChem (CID 158037661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).