1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate

C52H96N2O8 — CID 22323166

IUPAC1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate
SMILESCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCC)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C52H96N2O8/c1-12-15-17-19-21-23-25-27-29-31-33-35-59-45(56)52(47(58)62-42-39-50(8,9)54-51(10,11)40-42,46(57)60-36-34-32-30-28-26-24-22-20-18-16-13-2)43(14-3)44(55)61-41-37-48(4,5)53-49(6,7)38-41/h41-43,53-54H,12-40H2,1-11H3
InChIKeyDCUWOUCGCJGIPC-UHFFFAOYSA-N
MW877.35 g/mol
LogP12.41
Rot. Bonds32

About 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate

1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate (PubChem CID 22323166) has the molecular formula C52H96N2O8 and a molecular weight of 877.35 g/mol. Its IUPAC name is 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate.

Molecular Properties

Compound Name1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate
PubChem CID22323166
Molecular FormulaC52H96N2O8
Molecular Weight877.35 g/mol
Exact Mass876.72
IUPAC Name1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate
SMILESCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCC)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C52H96N2O8/c1-12-15-17-19-21-23-25-27-29-31-33-35-59-45(56)52(47(58)62-42-39-50(8,9)54-51(10,11)40-42,46(57)60-36-34-32-30-28-26-24-22-20-18-16-13-2)43(14-3)44(55)61-41-37-48(4,5)53-49(6,7)38-41/h41-43,53-54H,12-40H2,1-11H3
InChIKeyDCUWOUCGCJGIPC-UHFFFAOYSA-N
XLogP12.41
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.35
LogP ≤ 512.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate?
The IUPAC name of 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate (CID 22323166) is 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate.
What is the SMILES notation for 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate?
The canonical SMILES for 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate is CCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCC)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate?
The InChIKey is DCUWOUCGCJGIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H96N2O8/c1-12-15-17-19-21-23-25-27-29-31-33-35-59-45(56)52(47(58)62-42-39-50(8,9)54-51(10,11)40-42,46(57)60-36-34-32-30-28-26-24-22-20-18-16-13-2)43(14-3)44(55)61-41-37-48(4,5)53-49(6,7)38-41/h41-43,53-54H,12-40H2,1-11H3.
What are the key properties of 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate?
1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate has a molecular weight of 877.35 g/mol, XLogP of 12.41, 32 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,1-O-ditridecyl butane-1,1,1,2-tetracarboxylate is sourced from PubChem (CID 22323166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).