1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid

C52H96N2O8 — CID 18931656

IUPAC1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)C(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-33-50(43(57)58,39-42(55)56)51(44(59)60,34-32-30-28-26-24-22-20-18-16-14-12-2)52(45(61)62,40-35-46(3,4)53-47(5,6)36-40)41-37-48(7,8)54-49(9,10)38-41/h40-41,53-54H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyAVYYZBBRYZIRAB-UHFFFAOYSA-N
MW877.35 g/mol
LogP13.19
Rot. Bonds33

About 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid

1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 18931656) has the molecular formula C52H96N2O8 and a molecular weight of 877.35 g/mol. Its IUPAC name is 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID18931656
Molecular FormulaC52H96N2O8
Molecular Weight877.35 g/mol
Exact Mass876.72
IUPAC Name1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)C(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-33-50(43(57)58,39-42(55)56)51(44(59)60,34-32-30-28-26-24-22-20-18-16-14-12-2)52(45(61)62,40-35-46(3,4)53-47(5,6)36-40)41-37-48(7,8)54-49(9,10)38-41/h40-41,53-54H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyAVYYZBBRYZIRAB-UHFFFAOYSA-N
XLogP13.19
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.35
LogP ≤ 513.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid (CID 18931656) is 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid is CCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)C(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is AVYYZBBRYZIRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-33-50(43(57)58,39-42(55)56)51(44(59)60,34-32-30-28-26-24-22-20-18-16-14-12-2)52(45(61)62,40-35-46(3,4)53-47(5,6)36-40)41-37-48(7,8)54-49(9,10)38-41/h40-41,53-54H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62).
What are the key properties of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid?
1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 877.35 g/mol, XLogP of 13.19, 33 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-di(tridecyl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 18931656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).