tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate

C50H90N4O8 — CID 121247846

About tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate

tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate (PubChem CID 121247846) has the molecular formula C50H90N4O8 and a molecular weight of 875.29 g/mol. Its IUPAC name is tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate.

Molecular Properties

• Compound Name: tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate
• PubChem CID: 121247846
• Molecular Formula: C50H90N4O8
• Molecular Weight: 875.29 g/mol
• Exact Mass: 874.68
• IUPAC Name: tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate
• SMILES: CC(C)C1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)(C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1
• InChI: InChI=1S/C50H90N4O8/c1-30(2)46(17)25-34(21-42(9,10)51-46)59-38(55)29-50(39(56)60-35-22-43(11,12)52-47(18,26-35)31(3)4,40(57)61-36-23-44(13,14)53-48(19,27-36)32(5)6)41(58)62-37-24-45(15,16)54-49(20,28-37)33(7)8/h30-37,51-54H,21-29H2,1-20H3
• InChIKey: PAJGQYRVZJTJBZ-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 153.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.29
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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 tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate?

The IUPAC name of tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate (CID 121247846) is tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate.

What is the SMILES notation for tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate?

The canonical SMILES for tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate is CC(C)C1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)(C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)C(=O)OC2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1.

What is the InChIKey of tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate?

The InChIKey is PAJGQYRVZJTJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H90N4O8/c1-30(2)46(17)25-34(21-42(9,10)51-46)59-38(55)29-50(39(56)60-35-22-43(11,12)52-47(18,26-35)31(3)4,40(57)61-36-23-44(13,14)53-48(19,27-36)32(5)6)41(58)62-37-24-45(15,16)54-49(20,28-37)33(7)8/h30-37,51-54H,21-29H2,1-20H3.

What are the key properties of tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate?

tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate has a molecular weight of 875.29 g/mol, XLogP of 8.32, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate is sourced from PubChem (CID 121247846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).