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

C42H72N4O8 — CID 22761497

IUPACtetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
SMILESCC1(C)CC(OC(=O)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H72N4O8/c1-35(2)17-25(18-36(3,4)43-35)51-31(47)29(32(48)52-26-19-37(5,6)44-38(7,8)20-26)30(33(49)53-27-21-39(9,10)45-40(11,12)22-27)34(50)54-28-23-41(13,14)46-42(15,16)24-28/h25-28,43-46H,17-24H2,1-16H3
InChIKeyQKRCZHIEPDXIAB-UHFFFAOYSA-N
MW761.06 g/mol
LogP5.69
Rot. Bonds8

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

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate (PubChem CID 22761497) has the molecular formula C42H72N4O8 and a molecular weight of 761.06 g/mol. Its IUPAC name is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
PubChem CID22761497
Molecular FormulaC42H72N4O8
Molecular Weight761.06 g/mol
Exact Mass760.54
IUPAC Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
SMILESCC1(C)CC(OC(=O)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H72N4O8/c1-35(2)17-25(18-36(3,4)43-35)51-31(47)29(32(48)52-26-19-37(5,6)44-38(7,8)20-26)30(33(49)53-27-21-39(9,10)45-40(11,12)22-27)34(50)54-28-23-41(13,14)46-42(15,16)24-28/h25-28,43-46H,17-24H2,1-16H3
InChIKeyQKRCZHIEPDXIAB-UHFFFAOYSA-N
XLogP5.69
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.06
LogP ≤ 55.69
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate?
The IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate (CID 22761497) is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate.
What is the SMILES notation for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate?
The canonical SMILES for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate is CC1(C)CC(OC(=O)C(C(=O)OC2CC(C)(C)NC(C)(C)C2)=C(C(=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) ethene-1,1,2,2-tetracarboxylate?
The InChIKey is QKRCZHIEPDXIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H72N4O8/c1-35(2)17-25(18-36(3,4)43-35)51-31(47)29(32(48)52-26-19-37(5,6)44-38(7,8)20-26)30(33(49)53-27-21-39(9,10)45-40(11,12)22-27)34(50)54-28-23-41(13,14)46-42(15,16)24-28/h25-28,43-46H,17-24H2,1-16H3.
What are the key properties of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate?
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate has a molecular weight of 761.06 g/mol, XLogP of 5.69, 8 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) ethene-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 22761497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).