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

C37H56N2O8Si3 — CID 91267758

IUPAC3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione
SMILESCc1cc(C(C)(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)ccc1O
InChIInChI=1S/C37H56N2O8Si3/c1-25-21-28(15-17-31(25)40)37(2,3)29-16-18-32(41)30(24-29)39-34(43)23-27(36(39)45)14-12-20-49(7,8)47-50(9,10)46-48(5,6)19-11-13-26-22-33(42)38(4)35(26)44/h15-18,21,24,26-27,40-41H,11-14,19-20,22-23H2,1-10H3
InChIKeyXARJRAFZALRZIW-UHFFFAOYSA-N
MW741.12 g/mol
LogP7.32
Rot. Bonds15

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

3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione (PubChem CID 91267758) has the molecular formula C37H56N2O8Si3 and a molecular weight of 741.12 g/mol. Its IUPAC name is 3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione
PubChem CID91267758
Molecular FormulaC37H56N2O8Si3
Molecular Weight741.12 g/mol
Exact Mass740.33
IUPAC Name3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione
SMILESCc1cc(C(C)(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)ccc1O
InChIInChI=1S/C37H56N2O8Si3/c1-25-21-28(15-17-31(25)40)37(2,3)29-16-18-32(41)30(24-29)39-34(43)23-27(36(39)45)14-12-20-49(7,8)47-50(9,10)46-48(5,6)19-11-13-26-22-33(42)38(4)35(26)44/h15-18,21,24,26-27,40-41H,11-14,19-20,22-23H2,1-10H3
InChIKeyXARJRAFZALRZIW-UHFFFAOYSA-N
XLogP7.32
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.12
LogP ≤ 57.32
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-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-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-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-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-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione (CID 91267758) is 3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-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-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-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-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione is Cc1cc(C(C)(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)ccc1O.
What is the InChIKey of 3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is XARJRAFZALRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N2O8Si3/c1-25-21-28(15-17-31(25)40)37(2,3)29-16-18-32(41)30(24-29)39-34(43)23-27(36(39)45)14-12-20-49(7,8)47-50(9,10)46-48(5,6)19-11-13-26-22-33(42)38(4)35(26)44/h15-18,21,24,26-27,40-41H,11-14,19-20,22-23H2,1-10H3.
What are the key properties of 3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione?
3-[3-[[[3-[1-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 741.12 g/mol, XLogP of 7.32, 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-[2-hydroxy-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 91267758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).