tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate

C45H80N4O8 — CID 58788050

IUPACtetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CCC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C45H80N4O8/c1-38(2)20-28(21-39(3,4)46-38)54-34(50)18-17-32(36(52)56-30-24-42(9,10)48-43(11,12)25-30)33(37(53)57-31-26-44(13,14)49-45(15,16)27-31)19-35(51)55-29-22-40(5,6)47-41(7,8)23-29/h28-33,46-49H,17-27H2,1-16H3
InChIKeyDHPBRLCLEQYQEP-UHFFFAOYSA-N
MW805.15 g/mol
LogP6.80
Rot. Bonds12

About tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate (PubChem CID 58788050) has the molecular formula C45H80N4O8 and a molecular weight of 805.15 g/mol. Its IUPAC name is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate
PubChem CID58788050
Molecular FormulaC45H80N4O8
Molecular Weight805.15 g/mol
Exact Mass804.60
IUPAC Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CCC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C45H80N4O8/c1-38(2)20-28(21-39(3,4)46-38)54-34(50)18-17-32(36(52)56-30-24-42(9,10)48-43(11,12)25-30)33(37(53)57-31-26-44(13,14)49-45(15,16)27-31)19-35(51)55-29-22-40(5,6)47-41(7,8)23-29/h28-33,46-49H,17-27H2,1-16H3
InChIKeyDHPBRLCLEQYQEP-UHFFFAOYSA-N
XLogP6.80
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.15
LogP ≤ 56.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate?
The IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate (CID 58788050) is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate.
What is the SMILES notation for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate?
The canonical SMILES for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate is CC1(C)CC(OC(=O)CCC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate?
The InChIKey is DHPBRLCLEQYQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H80N4O8/c1-38(2)20-28(21-39(3,4)46-38)54-34(50)18-17-32(36(52)56-30-24-42(9,10)48-43(11,12)25-30)33(37(53)57-31-26-44(13,14)49-45(15,16)27-31)19-35(51)55-29-22-40(5,6)47-41(7,8)23-29/h28-33,46-49H,17-27H2,1-16H3.
What are the key properties of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate?
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) pentane-1,2,3,5-tetracarboxylate has a molecular weight of 805.15 g/mol, XLogP of 6.80, 12 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) pentane-1,2,3,5-tetracarboxylate is sourced from PubChem (CID 58788050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).