2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt

C44H71CoNO5-2 — CID 87664267

About 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt

2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt (PubChem CID 87664267) has the molecular formula C44H71CoNO5-2 and a molecular weight of 752.99 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt.

Molecular Properties

• Compound Name: 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt
• PubChem CID: 87664267
• Molecular Formula: C44H71CoNO5-2
• Molecular Weight: 752.99 g/mol
• Exact Mass: 752.47
• IUPAC Name: 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt
• SMILES: O=[Co].[CH2-]CN1C(C)(C)CC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C.[CH2-]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
• InChI: InChI=1S/C28H46NO3.C16H25O.Co.O/c1-12-29-27(8,9)17-20(18-28(29,10)11)32-23(30)14-13-19-15-21(25(2,3)4)24(31)22(16-19)26(5,6)7;1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;;/h15-16,20,31H,1,12-14,17-18H2,2-11H3;9-10,17H,1,8H2,2-7H3;;/q2*-1
• InChIKey: OBOFLXKFUTYNCP-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 87.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.99
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt?

The IUPAC name of 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt (CID 87664267) is 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt.

What is the SMILES notation for 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt?

The canonical SMILES for 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt is O=[Co].[CH2-]CN1C(C)(C)CC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C.[CH2-]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.

What is the InChIKey of 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt?

The InChIKey is OBOFLXKFUTYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46NO3.C16H25O.Co.O/c1-12-29-27(8,9)17-20(18-28(29,10)11)32-23(30)14-13-19-15-21(25(2,3)4)24(31)22(16-19)26(5,6)7;1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;;/h15-16,20,31H,1,12-14,17-18H2,2-11H3;9-10,17H,1,8H2,2-7H3;;/q2*-1;;.

What are the key properties of 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt?

2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt has a molecular weight of 752.99 g/mol, XLogP of 10.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt is sourced from PubChem (CID 87664267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).