2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid

C52H96N2O8 — CID 175445886

IUPAC2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C1CCN(C)C(C)(C)C1C)C(CC(=O)O)(C(=O)O)C1CCN(C)C(C)(C)C1C
InChIInChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-35-50(45(57)58,36-32-30-28-26-24-22-20-18-16-14-12-2)52(47(61)62,43-34-38-54(10)49(7,8)41(43)4)51(46(59)60,39-44(55)56)42-33-37-53(9)48(5,6)40(42)3/h40-43H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyBOGSOBQWYKMQRO-UHFFFAOYSA-N
MW877.35 g/mol
LogP12.81
Rot. Bonds33

About 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid

2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid (PubChem CID 175445886) has the molecular formula C52H96N2O8 and a molecular weight of 877.35 g/mol. Its IUPAC name is 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid
PubChem CID175445886
Molecular FormulaC52H96N2O8
Molecular Weight877.35 g/mol
Exact Mass876.72
IUPAC Name2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C1CCN(C)C(C)(C)C1C)C(CC(=O)O)(C(=O)O)C1CCN(C)C(C)(C)C1C
InChIInChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-35-50(45(57)58,36-32-30-28-26-24-22-20-18-16-14-12-2)52(47(61)62,43-34-38-54(10)49(7,8)41(43)4)51(46(59)60,39-44(55)56)42-33-37-53(9)48(5,6)40(42)3/h40-43H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyBOGSOBQWYKMQRO-UHFFFAOYSA-N
XLogP12.81
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.35
LogP ≤ 512.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexylhydrazine
CID 175373024
1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid
CID 151111042
2-hydroxy-3-pentyldodecane-1,2,3-tricarboxylic acid
CID 87241383
2,3-bis(octadec-9-enyl)henicos-12-ene-1,2,3-tricarboxylic acid
CID 57303678
3-octadecyl-3-pentadecyl-2,2-di(tetradecyl)henicosanoic acid
CID 87337627
2,3-bis(4-pentylcyclohexyl)butane-1,2,3,4-tetracarboxylic acid
CID 139878399
15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid
CID 22165760
2,2,3-tributyl-3-methyloctanoic acid
CID 141094903
2,2-di(pentadecyl)butanedioic acid
CID 88541002
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
3,3-di(tridecyl)pentanedioic acid
CID 141126442
3-(2,3-dihydroxypropyl)-2-hydroxyhenicosane-1,2,3-tricarboxylic acid
CID 87187841

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid (CID 175445886) is 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid is CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C1CCN(C)C(C)(C)C1C)C(CC(=O)O)(C(=O)O)C1CCN(C)C(C)(C)C1C.
What is the InChIKey of 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid?
The InChIKey is BOGSOBQWYKMQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-35-50(45(57)58,36-32-30-28-26-24-22-20-18-16-14-12-2)52(47(61)62,43-34-38-54(10)49(7,8)41(43)4)51(46(59)60,39-44(55)56)42-33-37-53(9)48(5,6)40(42)3/h40-43H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62).
What are the key properties of 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid?
2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid has a molecular weight of 877.35 g/mol, XLogP of 12.81, 33 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1,2,2,3-tetramethylpiperidin-4-yl)-4-tridecylheptadecane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 175445886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).