15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid

C48H87N3O8 — CID 22165760

IUPAC15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid
SMILESCC(C)CCCCCCCCCCC(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(CC(=O)O)(C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C48H87N3O8/c1-32(2)23-21-19-17-15-16-18-20-22-24-46(37(54)55,33-25-40(3,4)49-41(5,6)26-33)48(39(58)59,35-29-44(11,12)51-45(13,14)30-35)47(38(56)57,31-36(52)53)34-27-42(7,8)50-43(9,10)28-34/h32-35,49-51H,15-31H2,1-14H3,(H,52,53)(H,54,55)(H,56,57)(H,58,59)
InChIKeyFAXAUPWQXMCMOR-UHFFFAOYSA-N
MW834.24 g/mol
LogP9.90
Rot. Bonds21

About 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid

15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid (PubChem CID 22165760) has the molecular formula C48H87N3O8 and a molecular weight of 834.24 g/mol. Its IUPAC name is 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid
PubChem CID22165760
Molecular FormulaC48H87N3O8
Molecular Weight834.24 g/mol
Exact Mass833.65
IUPAC Name15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid
SMILESCC(C)CCCCCCCCCCC(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(CC(=O)O)(C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C48H87N3O8/c1-32(2)23-21-19-17-15-16-18-20-22-24-46(37(54)55,33-25-40(3,4)49-41(5,6)26-33)48(39(58)59,35-29-44(11,12)51-45(13,14)30-35)47(38(56)57,31-36(52)53)34-27-42(7,8)50-43(9,10)28-34/h32-35,49-51H,15-31H2,1-14H3,(H,52,53)(H,54,55)(H,56,57)(H,58,59)
InChIKeyFAXAUPWQXMCMOR-UHFFFAOYSA-N
XLogP9.90
TPSA185.29 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.24
LogP ≤ 59.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid (CID 22165760) is 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid is CC(C)CCCCCCCCCCC(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(C(=O)O)(C1CC(C)(C)NC(C)(C)C1)C(CC(=O)O)(C(=O)O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid?
The InChIKey is FAXAUPWQXMCMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H87N3O8/c1-32(2)23-21-19-17-15-16-18-20-22-24-46(37(54)55,33-25-40(3,4)49-41(5,6)26-33)48(39(58)59,35-29-44(11,12)51-45(13,14)30-35)47(38(56)57,31-36(52)53)34-27-42(7,8)50-43(9,10)28-34/h32-35,49-51H,15-31H2,1-14H3,(H,52,53)(H,54,55)(H,56,57)(H,58,59).
What are the key properties of 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid?
15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid has a molecular weight of 834.24 g/mol, XLogP of 9.90, 21 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 22165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).