bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate

C46H80N2O5 — CID 88768078

About bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate

bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate (PubChem CID 88768078) has the molecular formula C46H80N2O5 and a molecular weight of 741.15 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate.

Molecular Properties

• Compound Name: bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate
• PubChem CID: 88768078
• Molecular Formula: C46H80N2O5
• Molecular Weight: 741.15 g/mol
• Exact Mass: 740.61
• IUPAC Name: bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate
• SMILES: CCCN1C(C)(C)CC(OC(=O)C(CC)(C(=O)OC2CC(C)(C)N(CCC)C(C)(C)C2)C(CC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C
• InChI: InChI=1S/C46H80N2O5/c1-19-23-47-42(11,12)27-32(28-43(47,13)14)52-38(50)46(22-4,39(51)53-33-29-44(15,16)48(24-20-2)45(17,18)30-33)34(21-3)31-25-35(40(5,6)7)37(49)36(26-31)41(8,9)10/h25-26,32-34,49H,19-24,27-30H2,1-18H3
• InChIKey: HKPFSBOKYXVFAF-UHFFFAOYSA-N
• XLogP: 10.83
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.15
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate?

The IUPAC name of bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate (CID 88768078) is bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate.

What is the SMILES notation for bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate?

The canonical SMILES for bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate is CCCN1C(C)(C)CC(OC(=O)C(CC)(C(=O)OC2CC(C)(C)N(CCC)C(C)(C)C2)C(CC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C.

What is the InChIKey of bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate?

The InChIKey is HKPFSBOKYXVFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H80N2O5/c1-19-23-47-42(11,12)27-32(28-43(47,13)14)52-38(50)46(22-4,39(51)53-33-29-44(15,16)48(24-20-2)45(17,18)30-33)34(21-3)31-25-35(40(5,6)7)37(49)36(26-31)41(8,9)10/h25-26,32-34,49H,19-24,27-30H2,1-18H3.

What are the key properties of bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate?

bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate has a molecular weight of 741.15 g/mol, XLogP of 10.83, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate is sourced from PubChem (CID 88768078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).