3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione

C58H106N4O6 — CID 15170000

IUPAC3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OCCCCCCCCON3C(C)(C)CC(N4C(=O)CC(CCCCCCCCCCCC)C4=O)CC3(C)C)C(C)(C)C2)C1=O
InChIInChI=1S/C58H106N4O6/c1-11-13-15-17-19-21-23-25-29-33-37-47-41-51(63)59(53(47)65)49-43-55(3,4)61(56(5,6)44-49)67-39-35-31-27-28-32-36-40-68-62-57(7,8)45-50(46-58(62,9)10)60-52(64)42-48(54(60)66)38-34-30-26-24-22-20-18-16-14-12-2/h47-50H,11-46H2,1-10H3
InChIKeyFNUNIACODDXACR-UHFFFAOYSA-N
MW955.51 g/mol
LogP14.61
Rot. Bonds35

About 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione

3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione (PubChem CID 15170000) has the molecular formula C58H106N4O6 and a molecular weight of 955.51 g/mol. Its IUPAC name is 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione
PubChem CID15170000
Molecular FormulaC58H106N4O6
Molecular Weight955.51 g/mol
Exact Mass954.81
IUPAC Name3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OCCCCCCCCON3C(C)(C)CC(N4C(=O)CC(CCCCCCCCCCCC)C4=O)CC3(C)C)C(C)(C)C2)C1=O
InChIInChI=1S/C58H106N4O6/c1-11-13-15-17-19-21-23-25-29-33-37-47-41-51(63)59(53(47)65)49-43-55(3,4)61(56(5,6)44-49)67-39-35-31-27-28-32-36-40-68-62-57(7,8)45-50(46-58(62,9)10)60-52(64)42-48(54(60)66)38-34-30-26-24-22-20-18-16-14-12-2/h47-50H,11-46H2,1-10H3
InChIKeyFNUNIACODDXACR-UHFFFAOYSA-N
XLogP14.61
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.51
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione (CID 15170000) is 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione is CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OCCCCCCCCON3C(C)(C)CC(N4C(=O)CC(CCCCCCCCCCCC)C4=O)CC3(C)C)C(C)(C)C2)C1=O.
What is the InChIKey of 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione?
The InChIKey is FNUNIACODDXACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H106N4O6/c1-11-13-15-17-19-21-23-25-29-33-37-47-41-51(63)59(53(47)65)49-43-55(3,4)61(56(5,6)44-49)67-39-35-31-27-28-32-36-40-68-62-57(7,8)45-50(46-58(62,9)10)60-52(64)42-48(54(60)66)38-34-30-26-24-22-20-18-16-14-12-2/h47-50H,11-46H2,1-10H3.
What are the key properties of 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione?
3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione has a molecular weight of 955.51 g/mol, XLogP of 14.61, 35 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-[1-[8-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 15170000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).