tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate

C74H138N4O8 — CID 54065822

IUPACtetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate
SMILESCCCCCCCCCCCCCC(C)C(CCCCCCCCCCCCC)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C74H138N4O8/c1-24-26-28-30-32-34-36-38-40-42-44-46-56(3)73(47-45-43-41-39-37-35-33-31-29-27-25-2,61(79)83-57-48-65(4,5)75(20)66(6,7)49-57)74(62(80)84-58-50-67(8,9)76(21)68(10,11)51-58,63(81)85-59-52-69(12,13)77(22)70(14,15)53-59)64(82)86-60-54-71(16,17)78(23)72(18,19)55-60/h56-60H,24-55H2,1-23H3
InChIKeyMCWQRQRTJSKNQA-UHFFFAOYSA-N
MW1211.94 g/mol
LogP17.78
Rot. Bonds34

About tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate

tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate (PubChem CID 54065822) has the molecular formula C74H138N4O8 and a molecular weight of 1211.94 g/mol. Its IUPAC name is tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate
PubChem CID54065822
Molecular FormulaC74H138N4O8
Molecular Weight1211.94 g/mol
Exact Mass1211.05
IUPAC Nametetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate
SMILESCCCCCCCCCCCCCC(C)C(CCCCCCCCCCCCC)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C74H138N4O8/c1-24-26-28-30-32-34-36-38-40-42-44-46-56(3)73(47-45-43-41-39-37-35-33-31-29-27-25-2,61(79)83-57-48-65(4,5)75(20)66(6,7)49-57)74(62(80)84-58-50-67(8,9)76(21)68(10,11)51-58,63(81)85-59-52-69(12,13)77(22)70(14,15)53-59)64(82)86-60-54-71(16,17)78(23)72(18,19)55-60/h56-60H,24-55H2,1-23H3
InChIKeyMCWQRQRTJSKNQA-UHFFFAOYSA-N
XLogP17.78
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.94
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate?
The IUPAC name of tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate (CID 54065822) is tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate.
What is the SMILES notation for tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate?
The canonical SMILES for tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate is CCCCCCCCCCCCCC(C)C(CCCCCCCCCCCCC)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate?
The InChIKey is MCWQRQRTJSKNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H138N4O8/c1-24-26-28-30-32-34-36-38-40-42-44-46-56(3)73(47-45-43-41-39-37-35-33-31-29-27-25-2,61(79)83-57-48-65(4,5)75(20)66(6,7)49-57)74(62(80)84-58-50-67(8,9)76(21)68(10,11)51-58,63(81)85-59-52-69(12,13)77(22)70(14,15)53-59)64(82)86-60-54-71(16,17)78(23)72(18,19)55-60/h56-60H,24-55H2,1-23H3.
What are the key properties of tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate?
tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate has a molecular weight of 1211.94 g/mol, XLogP of 17.78, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methyl-2-tridecylhexadecane-1,1,1,2-tetracarboxylate is sourced from PubChem (CID 54065822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).