tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C76H142N4O12 — CID 19892351

IUPACtetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCCCCCCCCON1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C76H142N4O12/c1-21-25-29-33-37-41-45-85-77-69(5,6)51-59(52-70(77,7)8)89-65(81)49-63(67(83)91-61-55-73(13,14)79(74(15,16)56-61)87-47-43-39-35-31-27-23-3)64(68(84)92-62-57-75(17,18)80(76(19,20)58-62)88-48-44-40-36-32-28-24-4)50-66(82)90-60-53-71(9,10)78(72(11,12)54-60)86-46-42-38-34-30-26-22-2/h59-64H,21-58H2,1-20H3
InChIKeyKENLSNVCPGVROT-UHFFFAOYSA-N
MW1303.99 g/mol
LogP18.43
Rot. Bonds43

About tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 19892351) has the molecular formula C76H142N4O12 and a molecular weight of 1303.99 g/mol. Its IUPAC name is tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID19892351
Molecular FormulaC76H142N4O12
Molecular Weight1303.99 g/mol
Exact Mass1303.06
IUPAC Nametetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCCCCCCCCON1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C76H142N4O12/c1-21-25-29-33-37-41-45-85-77-69(5,6)51-59(52-70(77,7)8)89-65(81)49-63(67(83)91-61-55-73(13,14)79(74(15,16)56-61)87-47-43-39-35-31-27-23-3)64(68(84)92-62-57-75(17,18)80(76(19,20)58-62)88-48-44-40-36-32-28-24-4)50-66(82)90-60-53-71(9,10)78(72(11,12)54-60)86-46-42-38-34-30-26-22-2/h59-64H,21-58H2,1-20H3
InChIKeyKENLSNVCPGVROT-UHFFFAOYSA-N
XLogP18.43
TPSA155.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.99
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 19892351) is tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CCCCCCCCON1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is KENLSNVCPGVROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H142N4O12/c1-21-25-29-33-37-41-45-85-77-69(5,6)51-59(52-70(77,7)8)89-65(81)49-63(67(83)91-61-55-73(13,14)79(74(15,16)56-61)87-47-43-39-35-31-27-23-3)64(68(84)92-62-57-75(17,18)80(76(19,20)58-62)88-48-44-40-36-32-28-24-4)50-66(82)90-60-53-71(9,10)78(72(11,12)54-60)86-46-42-38-34-30-26-22-2/h59-64H,21-58H2,1-20H3.
What are the key properties of tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 1303.99 g/mol, XLogP of 18.43, 43 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 19892351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).