cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate

C33H46CoN2O6 — CID 160753336

About cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate

cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate (PubChem CID 160753336) has the molecular formula C33H46CoN2O6 and a molecular weight of 625.67 g/mol. Its IUPAC name is cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
• PubChem CID: 160753336
• Molecular Formula: C33H46CoN2O6
• Molecular Weight: 625.67 g/mol
• Exact Mass: 625.27
• IUPAC Name: cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCC)cc(CC)c2O)c(O)c(CC)c1.[Co+2]
• InChI: InChI=1S/C29H40N2O2.2C2H4O2.Co/c1-5-10-20-14-22(7-3)28(32)24(16-20)18-30-26-12-9-13-27(26)31-19-25-17-21(11-6-2)15-23(8-4)29(25)33;2*1-2(3)4;/h14-19,26-27,32-33H,5-13H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2/b30-18+,31-19+
• InChIKey: RXCLOTWVQSTSEA-HOZDODFKSA-L
• XLogP: 4.10
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.67
LogP ≤ 5	4.10
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-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?

The IUPAC name of cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate (CID 160753336) is cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate.

What is the SMILES notation for cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?

The canonical SMILES for cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].CCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCC)cc(CC)c2O)c(O)c(CC)c1.[Co+2].

What is the InChIKey of cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?

The InChIKey is RXCLOTWVQSTSEA-HOZDODFKSA-L. The full InChI is InChI=1S/C29H40N2O2.2C2H4O2.Co/c1-5-10-20-14-22(7-3)28(32)24(16-20)18-30-26-12-9-13-27(26)31-19-25-17-21(11-6-2)15-23(8-4)29(25)33;2*1-2(3)4;/h14-19,26-27,32-33H,5-13H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2/b30-18+,31-19+;;;.

What are the key properties of cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?

cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate has a molecular weight of 625.67 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate is sourced from PubChem (CID 160753336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).