cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate

C36H52CoN2O6 — CID 173033959

About cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate

cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate (PubChem CID 173033959) has the molecular formula C36H52CoN2O6 and a molecular weight of 667.75 g/mol. Its IUPAC name is cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate.

Molecular Properties

• Compound Name: cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate
• PubChem CID: 173033959
• Molecular Formula: C36H52CoN2O6
• Molecular Weight: 667.75 g/mol
• Exact Mass: 667.32
• IUPAC Name: cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(C)c1cc(/C=N\C2CCCCC2/N=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1.[Co+2]
• InChI: InChI=1S/C32H46N2O2.2C2H4O2.Co/c1-19(2)23-13-25(31(35)27(15-23)21(5)6)17-33-29-11-9-10-12-30(29)34-18-26-14-24(20(3)4)16-28(22(7)8)32(26)36;2*1-2(3)4;/h13-22,29-30,35-36H,9-12H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-17-,34-18+
• InChIKey: DAMNXPTUILVELC-IQJZXIPYSA-L
• XLogP: 5.95
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.75
LogP ≤ 5	5.95
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-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate?

The IUPAC name of cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate (CID 173033959) is cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate.

What is the SMILES notation for cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate?

The canonical SMILES for cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)c1cc(/C=N\C2CCCCC2/N=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1.[Co+2].

What is the InChIKey of cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate?

The InChIKey is DAMNXPTUILVELC-IQJZXIPYSA-L. The full InChI is InChI=1S/C32H46N2O2.2C2H4O2.Co/c1-19(2)23-13-25(31(35)27(15-23)21(5)6)17-33-29-11-9-10-12-30(29)34-18-26-14-24(20(3)4)16-28(22(7)8)32(26)36;2*1-2(3)4;/h13-22,29-30,35-36H,9-12H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-17-,34-18+;;;.

What are the key properties of cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate?

cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate has a molecular weight of 667.75 g/mol, XLogP of 5.95, 8 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-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate is sourced from PubChem (CID 173033959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).