3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate

C58H100N2O8 — CID 121403711

IUPAC3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate
SMILESCCCCCCCCCCCCCCCOC(=O)c1c(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)ccc(C(=O)OCCCCCCCCCCCCC)c1C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C58H100N2O8/c1-13-15-17-19-21-23-25-26-28-30-32-34-36-40-66-53(63)49-48(52(62)67-45-41-55(3,4)59(11)56(5,6)42-45)38-37-47(51(61)65-39-35-33-31-29-27-24-22-20-18-16-14-2)50(49)54(64)68-46-43-57(7,8)60(12)58(9,10)44-46/h37-38,45-46H,13-36,39-44H2,1-12H3
InChIKeyULRQLOZIQCXUQU-UHFFFAOYSA-N
MW953.44 g/mol
LogP15.02
Rot. Bonds32

About 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate

3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate (PubChem CID 121403711) has the molecular formula C58H100N2O8 and a molecular weight of 953.44 g/mol. Its IUPAC name is 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Name3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate
PubChem CID121403711
Molecular FormulaC58H100N2O8
Molecular Weight953.44 g/mol
Exact Mass952.75
IUPAC Name3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate
SMILESCCCCCCCCCCCCCCCOC(=O)c1c(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)ccc(C(=O)OCCCCCCCCCCCCC)c1C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C58H100N2O8/c1-13-15-17-19-21-23-25-26-28-30-32-34-36-40-66-53(63)49-48(52(62)67-45-41-55(3,4)59(11)56(5,6)42-45)38-37-47(51(61)65-39-35-33-31-29-27-24-22-20-18-16-14-2)50(49)54(64)68-46-43-57(7,8)60(12)58(9,10)44-46/h37-38,45-46H,13-36,39-44H2,1-12H3
InChIKeyULRQLOZIQCXUQU-UHFFFAOYSA-N
XLogP15.02
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.44
LogP ≤ 515.02
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate?
The IUPAC name of 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate (CID 121403711) is 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate.
What is the SMILES notation for 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate?
The canonical SMILES for 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate is CCCCCCCCCCCCCCCOC(=O)c1c(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)ccc(C(=O)OCCCCCCCCCCCCC)c1C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate?
The InChIKey is ULRQLOZIQCXUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H100N2O8/c1-13-15-17-19-21-23-25-26-28-30-32-34-36-40-66-53(63)49-48(52(62)67-45-41-55(3,4)59(11)56(5,6)42-45)38-37-47(51(61)65-39-35-33-31-29-27-24-22-20-18-16-14-2)50(49)54(64)68-46-43-57(7,8)60(12)58(9,10)44-46/h37-38,45-46H,13-36,39-44H2,1-12H3.
What are the key properties of 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate?
3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate has a molecular weight of 953.44 g/mol, XLogP of 15.02, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-pentadecyl 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-tridecyl benzene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 121403711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).