bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate

C41H68N2O5 — CID 91448406

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (PubChem CID 91448406) has the molecular formula C41H68N2O5 and a molecular weight of 669.00 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.

Molecular Properties

• Compound Name: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
• PubChem CID: 91448406
• Molecular Formula: C41H68N2O5
• Molecular Weight: 669.00 g/mol
• Exact Mass: 668.51
• IUPAC Name: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
• SMILES: CN1C(C)(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C2CC2)CC1(C)C
• InChI: InChI=1S/C41H68N2O5/c1-35(2,3)30-19-26(20-31(32(30)44)36(4,5)6)21-41(27-17-18-27,33(45)47-28-22-37(7,8)42(15)38(9,10)23-28)34(46)48-29-24-39(11,12)43(16)40(13,14)25-29/h19-20,27-29,44H,17-18,21-25H2,1-16H3
• InChIKey: JLIQIETVVZXQJV-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.00
LogP ≤ 5	8.32
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(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?

The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (CID 91448406) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.

What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?

The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is CN1C(C)(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C2CC2)CC1(C)C.

What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?

The InChIKey is JLIQIETVVZXQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H68N2O5/c1-35(2,3)30-19-26(20-31(32(30)44)36(4,5)6)21-41(27-17-18-27,33(45)47-28-22-37(7,8)42(15)38(9,10)23-28)34(46)48-29-24-39(11,12)43(16)40(13,14)25-29/h19-20,27-29,44H,17-18,21-25H2,1-16H3.

What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate has a molecular weight of 669.00 g/mol, XLogP of 8.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is sourced from PubChem (CID 91448406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).