3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione

C37H50F6N2O8Si3 — CID 90918629

IUPAC3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione
SMILESCc1cc(C(c2ccc(O)c(N3C(=O)CC(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC4CC(=O)N(C)C4=O)C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C37H50F6N2O8Si3/c1-23-19-26(13-15-29(23)46)35(36(38,39)40,37(41,42)43)27-14-16-30(47)28(22-27)45-32(49)21-25(34(45)51)12-10-18-55(5,6)53-56(7,8)52-54(3,4)17-9-11-24-20-31(48)44(2)33(24)50/h13-16,19,22,24-25,46-47H,9-12,17-18,20-21H2,1-8H3
InChIKeyWFPJYYJKUCMXOL-UHFFFAOYSA-N
MW849.06 g/mol
LogP8.41
Rot. Bonds15

About 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione

3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione (PubChem CID 90918629) has the molecular formula C37H50F6N2O8Si3 and a molecular weight of 849.06 g/mol. Its IUPAC name is 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione
PubChem CID90918629
Molecular FormulaC37H50F6N2O8Si3
Molecular Weight849.06 g/mol
Exact Mass848.28
IUPAC Name3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione
SMILESCc1cc(C(c2ccc(O)c(N3C(=O)CC(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC4CC(=O)N(C)C4=O)C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C37H50F6N2O8Si3/c1-23-19-26(13-15-29(23)46)35(36(38,39)40,37(41,42)43)27-14-16-30(47)28(22-27)45-32(49)21-25(34(45)51)12-10-18-55(5,6)53-56(7,8)52-54(3,4)17-9-11-24-20-31(48)44(2)33(24)50/h13-16,19,22,24-25,46-47H,9-12,17-18,20-21H2,1-8H3
InChIKeyWFPJYYJKUCMXOL-UHFFFAOYSA-N
XLogP8.41
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.06
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione (CID 90918629) is 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione is Cc1cc(C(c2ccc(O)c(N3C(=O)CC(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC4CC(=O)N(C)C4=O)C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O.
What is the InChIKey of 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is WFPJYYJKUCMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50F6N2O8Si3/c1-23-19-26(13-15-29(23)46)35(36(38,39)40,37(41,42)43)27-14-16-30(47)28(22-27)45-32(49)21-25(34(45)51)12-10-18-55(5,6)53-56(7,8)52-54(3,4)17-9-11-24-20-31(48)44(2)33(24)50/h13-16,19,22,24-25,46-47H,9-12,17-18,20-21H2,1-8H3.
What are the key properties of 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione?
3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 849.06 g/mol, XLogP of 8.41, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[[3-[1-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 90918629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).