[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol

C82H128NO14+ — CID 159114477

About [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol

[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol (PubChem CID 159114477) has the molecular formula C82H128NO14+ and a molecular weight of 1351.92 g/mol. Its IUPAC name is [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol.

Molecular Properties

• Compound Name: [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
• PubChem CID: 159114477
• Molecular Formula: C82H128NO14+
• Molecular Weight: 1351.92 g/mol
• Exact Mass: 1350.93
• IUPAC Name: [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
• SMILES: CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC1(C)CC(O)CC(C)(C)[NH+]1O
• InChI: InChI=1S/C73H108O12.C9H19NO2/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24;1-8(2)5-7(11)6-9(3,4)10(8)12/h33-40,78-81H,25-32,41-44H2,1-24H3;7,11-12H,5-6H2,1-4H3/p+1
• InChIKey: KEXHIYXBLXFNJW-UHFFFAOYSA-O
• XLogP: 15.85
• TPSA: 231.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1351.92
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?

The IUPAC name of [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol (CID 159114477) is [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol.

What is the SMILES notation for [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?

The canonical SMILES for [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol is CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC1(C)CC(O)CC(C)(C)[NH+]1O.

What is the InChIKey of [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?

The InChIKey is KEXHIYXBLXFNJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C73H108O12.C9H19NO2/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24;1-8(2)5-7(11)6-9(3,4)10(8)12/h33-40,78-81H,25-32,41-44H2,1-24H3;7,11-12H,5-6H2,1-4H3/p+1.

What are the key properties of [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?

[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol has a molecular weight of 1351.92 g/mol, XLogP of 15.85, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 159114477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).