tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate

C44H78N4O8 — CID 54136975

IUPACtetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
SMILESCCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C(=O)OC1CC(C)(C)NC(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C44H78N4O8/c1-18-31(32(49)53-27-19-36(2,3)45-37(4,5)20-27)44(33(50)54-28-21-38(6,7)46-39(8,9)22-28,34(51)55-29-23-40(10,11)47-41(12,13)24-29)35(52)56-30-25-42(14,15)48-43(16,17)26-30/h27-31,45-48H,18-26H2,1-17H3
InChIKeyNYKHQQHUHLNYLW-UHFFFAOYSA-N
MW791.13 g/mol
LogP6.41
Rot. Bonds10

About tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate (PubChem CID 54136975) has the molecular formula C44H78N4O8 and a molecular weight of 791.13 g/mol. Its IUPAC name is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
PubChem CID54136975
Molecular FormulaC44H78N4O8
Molecular Weight791.13 g/mol
Exact Mass790.58
IUPAC Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
SMILESCCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C(=O)OC1CC(C)(C)NC(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C44H78N4O8/c1-18-31(32(49)53-27-19-36(2,3)45-37(4,5)20-27)44(33(50)54-28-21-38(6,7)46-39(8,9)22-28,34(51)55-29-23-40(10,11)47-41(12,13)24-29)35(52)56-30-25-42(14,15)48-43(16,17)26-30/h27-31,45-48H,18-26H2,1-17H3
InChIKeyNYKHQQHUHLNYLW-UHFFFAOYSA-N
XLogP6.41
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.13
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
The IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate (CID 54136975) is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate.
What is the SMILES notation for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
The canonical SMILES for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate is CCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C(=O)OC1CC(C)(C)NC(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
The InChIKey is NYKHQQHUHLNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78N4O8/c1-18-31(32(49)53-27-19-36(2,3)45-37(4,5)20-27)44(33(50)54-28-21-38(6,7)46-39(8,9)22-28,34(51)55-29-23-40(10,11)47-41(12,13)24-29)35(52)56-30-25-42(14,15)48-43(16,17)26-30/h27-31,45-48H,18-26H2,1-17H3.
What are the key properties of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate has a molecular weight of 791.13 g/mol, XLogP of 6.41, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate is sourced from PubChem (CID 54136975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).