1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C41H66N4O8 — CID 70371998

About 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 70371998) has the molecular formula C41H66N4O8 and a molecular weight of 743.00 g/mol. Its IUPAC name is 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

• Compound Name: 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
• PubChem CID: 70371998
• Molecular Formula: C41H66N4O8
• Molecular Weight: 743.00 g/mol
• Exact Mass: 742.49
• IUPAC Name: 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
• SMILES: C=C1CC(OC(=O)CC(C(=O)OC2CC(=C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(=C)NC(C)(C)C2)CC(C)(C)N1
• InChI: InChI=1S/C41H66N4O8/c1-24-14-27(19-37(4,5)42-24)50-33(46)17-31(35(48)52-28-15-25(2)43-38(6,7)20-28)32(36(49)53-29-16-26(3)44-39(8,9)21-29)18-34(47)51-30-22-40(10,11)45-41(12,13)23-30/h27-32,42-45H,1-3,14-23H2,4-13H3
• InChIKey: QGYHKIJAQHDAAS-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 153.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	743.00
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?

The IUPAC name of 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 70371998) is 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

What is the SMILES notation for 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?

The canonical SMILES for 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is C=C1CC(OC(=O)CC(C(=O)OC2CC(=C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(=C)NC(C)(C)C2)CC(C)(C)N1.

What is the InChIKey of 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?

The InChIKey is QGYHKIJAQHDAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H66N4O8/c1-24-14-27(19-37(4,5)42-24)50-33(46)17-31(35(48)52-28-15-25(2)43-38(6,7)20-28)32(36(49)53-29-16-26(3)44-39(8,9)21-29)18-34(47)51-30-22-40(10,11)45-41(12,13)23-30/h27-32,42-45H,1-3,14-23H2,4-13H3.

What are the key properties of 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?

1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 743.00 g/mol, XLogP of 5.61, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 70371998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).