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

C34H42CoN2O6 — CID 159772356

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

cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate (PubChem CID 159772356) has the molecular formula C34H42CoN2O6 and a molecular weight of 633.65 g/mol. Its IUPAC name is cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate
• PubChem CID: 159772356
• Molecular Formula: C34H42CoN2O6
• Molecular Weight: 633.65 g/mol
• Exact Mass: 633.24
• IUPAC Name: cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(C)CCc1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(CCC(C)C)ccc2O)c1.[Co+2]
• InChI: InChI=1S/C30H36N2O2.2C2H4O2.Co/c1-21(2)9-11-23-13-15-29(33)25(17-23)19-31-27-7-5-6-8-28(27)32-20-26-18-24(12-10-22(3)4)14-16-30(26)34;2*1-2(3)4;/h5-8,13-22,33-34H,9-12H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2/b31-19+,32-20+
• InChIKey: NGGWWZCFNNTYCE-BQRYAWOYSA-L
• XLogP: 5.29
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.65
LogP ≤ 5	5.29
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-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate?

The IUPAC name of cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate (CID 159772356) is cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate.

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

The canonical SMILES for cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)CCc1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(CCC(C)C)ccc2O)c1.[Co+2].

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

The InChIKey is NGGWWZCFNNTYCE-BQRYAWOYSA-L. The full InChI is InChI=1S/C30H36N2O2.2C2H4O2.Co/c1-21(2)9-11-23-13-15-29(33)25(17-23)19-31-27-7-5-6-8-28(27)32-20-26-18-24(12-10-22(3)4)14-16-30(26)34;2*1-2(3)4;/h5-8,13-22,33-34H,9-12H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2/b31-19+,32-20+;;;.

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

cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate has a molecular weight of 633.65 g/mol, XLogP of 5.29, 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-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate is sourced from PubChem (CID 159772356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).