3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid

C43H79NO8 — CID 19079965

IUPAC3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCC)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C43H79NO8/c1-8-10-12-14-16-18-20-22-24-26-28-30-41(7,31-29-27-25-23-21-19-17-15-13-11-9-2)43(38(51)52,42(35(45)46,36(47)48)37(49)50)34-32-39(3,4)44-40(5,6)33-34/h34,44H,8-33H2,1-7H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyHEWSMNDPENTFIR-UHFFFAOYSA-N
MW738.10 g/mol
LogP11.26
Rot. Bonds31

About 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid

3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid (PubChem CID 19079965) has the molecular formula C43H79NO8 and a molecular weight of 738.10 g/mol. Its IUPAC name is 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
PubChem CID19079965
Molecular FormulaC43H79NO8
Molecular Weight738.10 g/mol
Exact Mass737.58
IUPAC Name3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCC)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C43H79NO8/c1-8-10-12-14-16-18-20-22-24-26-28-30-41(7,31-29-27-25-23-21-19-17-15-13-11-9-2)43(38(51)52,42(35(45)46,36(47)48)37(49)50)34-32-39(3,4)44-40(5,6)33-34/h34,44H,8-33H2,1-7H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyHEWSMNDPENTFIR-UHFFFAOYSA-N
XLogP11.26
TPSA161.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.10
LogP ≤ 511.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
The IUPAC name of 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid (CID 19079965) is 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid.
What is the SMILES notation for 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
The canonical SMILES for 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid is CCCCCCCCCCCCCC(C)(CCCCCCCCCCCCC)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
The InChIKey is HEWSMNDPENTFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H79NO8/c1-8-10-12-14-16-18-20-22-24-26-28-30-41(7,31-29-27-25-23-21-19-17-15-13-11-9-2)43(38(51)52,42(35(45)46,36(47)48)37(49)50)34-32-39(3,4)44-40(5,6)33-34/h34,44H,8-33H2,1-7H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52).
What are the key properties of 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid has a molecular weight of 738.10 g/mol, XLogP of 11.26, 31 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid is sourced from PubChem (CID 19079965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).