cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate

C29H40CoN2O6 — CID 158725334

About cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate

cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate (PubChem CID 158725334) has the molecular formula C29H40CoN2O6 and a molecular weight of 571.58 g/mol. Its IUPAC name is cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate
• PubChem CID: 158725334
• Molecular Formula: C29H40CoN2O6
• Molecular Weight: 571.58 g/mol
• Exact Mass: 571.22
• IUPAC Name: cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(C)CCc1ccc(O)c(C=NCN=Cc2cc(CCC(C)C)ccc2O)c1.[Co+2]
• InChI: InChI=1S/C25H34N2O2.2C2H4O2.Co/c1-18(2)5-7-20-9-11-24(28)22(13-20)15-26-17-27-16-23-14-21(8-6-19(3)4)10-12-25(23)29;2*1-2(3)4;/h9-16,18-19,28-29H,5-8,17H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2
• InChIKey: WDYIRJGBOSKFJF-UHFFFAOYSA-L
• XLogP: 3.28
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.58
LogP ≤ 5	3.28
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-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate?

The IUPAC name of cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate (CID 158725334) is cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate.

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

The canonical SMILES for cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)CCc1ccc(O)c(C=NCN=Cc2cc(CCC(C)C)ccc2O)c1.[Co+2].

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

The InChIKey is WDYIRJGBOSKFJF-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H34N2O2.2C2H4O2.Co/c1-18(2)5-7-20-9-11-24(28)22(13-20)15-26-17-27-16-23-14-21(8-6-19(3)4)10-12-25(23)29;2*1-2(3)4;/h9-16,18-19,28-29H,5-8,17H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2.

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

cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate has a molecular weight of 571.58 g/mol, XLogP of 3.28, 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-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate is sourced from PubChem (CID 158725334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).