1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate

C47H81N3O7 — CID 89244874

About 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate

1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate (PubChem CID 89244874) has the molecular formula C47H81N3O7 and a molecular weight of 800.18 g/mol. Its IUPAC name is 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate.

Molecular Properties

• Compound Name: 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate
• PubChem CID: 89244874
• Molecular Formula: C47H81N3O7
• Molecular Weight: 800.18 g/mol
• Exact Mass: 799.61
• IUPAC Name: 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate
• SMILES: CC(C)NC(C)(C)CC(C)OC(=O)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C47H81N3O7/c1-29(2)48-42(10,11)22-30(3)55-38(53)47(39(54)57-33-26-45(16,17)50-46(18,19)27-33,28-36(51)56-32-24-43(12,13)49-44(14,15)25-32)23-31-20-34(40(4,5)6)37(52)35(21-31)41(7,8)9/h20-21,29-30,32-33,48-50,52H,22-28H2,1-19H3
• InChIKey: PZUOUOWRNDOCPG-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 135.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.18
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate?

The IUPAC name of 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate (CID 89244874) is 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate.

What is the SMILES notation for 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate?

The canonical SMILES for 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate is CC(C)NC(C)(C)CC(C)OC(=O)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate?

The InChIKey is PZUOUOWRNDOCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H81N3O7/c1-29(2)48-42(10,11)22-30(3)55-38(53)47(39(54)57-33-26-45(16,17)50-46(18,19)27-33,28-36(51)56-32-24-43(12,13)49-44(14,15)25-32)23-31-20-34(40(4,5)6)37(52)35(21-31)41(7,8)9/h20-21,29-30,32-33,48-50,52H,22-28H2,1-19H3.

What are the key properties of 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate?

1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate has a molecular weight of 800.18 g/mol, XLogP of 8.71, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate is sourced from PubChem (CID 89244874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).