tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate

C58H98N4O8 — CID 21330487

IUPACtetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
SMILESCCC1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(CC)NC(C)(CC)C3C)c(C(=O)OC3CC(C)(CC)NC(C)(CC)C3C)cc2C(=O)OC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1
InChIInChI=1S/C58H98N4O8/c1-21-51(13)31-43(35(9)55(17,25-5)59-51)67-47(63)39-29-41(49(65)69-45-33-53(15,23-3)61-57(19,27-7)37(45)11)42(50(66)70-46-34-54(16,24-4)62-58(20,28-8)38(46)12)30-40(39)48(64)68-44-32-52(14,22-2)60-56(18,26-6)36(44)10/h29-30,35-38,43-46,59-62H,21-28,31-34H2,1-20H3
InChIKeyMDOLSOVTZSFKGG-UHFFFAOYSA-N
MW979.44 g/mol
LogP11.66
Rot. Bonds16

About tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate

tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate (PubChem CID 21330487) has the molecular formula C58H98N4O8 and a molecular weight of 979.44 g/mol. Its IUPAC name is tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
PubChem CID21330487
Molecular FormulaC58H98N4O8
Molecular Weight979.44 g/mol
Exact Mass978.74
IUPAC Nametetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
SMILESCCC1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(CC)NC(C)(CC)C3C)c(C(=O)OC3CC(C)(CC)NC(C)(CC)C3C)cc2C(=O)OC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1
InChIInChI=1S/C58H98N4O8/c1-21-51(13)31-43(35(9)55(17,25-5)59-51)67-47(63)39-29-41(49(65)69-45-33-53(15,23-3)61-57(19,27-7)37(45)11)42(50(66)70-46-34-54(16,24-4)62-58(20,28-8)38(46)12)30-40(39)48(64)68-44-32-52(14,22-2)60-56(18,26-6)36(44)10/h29-30,35-38,43-46,59-62H,21-28,31-34H2,1-20H3
InChIKeyMDOLSOVTZSFKGG-UHFFFAOYSA-N
XLogP11.66
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.44
LogP ≤ 511.66
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(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The IUPAC name of tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate (CID 21330487) is tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate.
What is the SMILES notation for tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The canonical SMILES for tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate is CCC1(C)CC(OC(=O)c2cc(C(=O)OC3CC(C)(CC)NC(C)(CC)C3C)c(C(=O)OC3CC(C)(CC)NC(C)(CC)C3C)cc2C(=O)OC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1.
What is the InChIKey of tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
The InChIKey is MDOLSOVTZSFKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H98N4O8/c1-21-51(13)31-43(35(9)55(17,25-5)59-51)67-47(63)39-29-41(49(65)69-45-33-53(15,23-3)61-57(19,27-7)37(45)11)42(50(66)70-46-34-54(16,24-4)62-58(20,28-8)38(46)12)30-40(39)48(64)68-44-32-52(14,22-2)60-56(18,26-6)36(44)10/h29-30,35-38,43-46,59-62H,21-28,31-34H2,1-20H3.
What are the key properties of tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate?
tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate has a molecular weight of 979.44 g/mol, XLogP of 11.66, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate is sourced from PubChem (CID 21330487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).