4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one

C24H33NO2Si — CID 162383982

IUPAC4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCCCCC1CNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-24(2,3)28(21-13-6-4-7-14-21,22-15-8-5-9-16-22)27-17-11-10-12-20-18-23(26)25-19-20/h4-9,13-16,20H,10-12,17-19H2,1-3H3,(H,25,26)
InChIKeyOWSJIPPCIVDCLF-UHFFFAOYSA-N
MW395.62 g/mol
LogP3.87
Rot. Bonds8

About 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one

4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one (PubChem CID 162383982) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one
PubChem CID162383982
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Name4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCCCCC1CNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-24(2,3)28(21-13-6-4-7-14-21,22-15-8-5-9-16-22)27-17-11-10-12-20-18-23(26)25-19-20/h4-9,13-16,20H,10-12,17-19H2,1-3H3,(H,25,26)
InChIKeyOWSJIPPCIVDCLF-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one (CID 162383982) is 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one is CC(C)(C)[Si](OCCCCC1CNC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one?
The InChIKey is OWSJIPPCIVDCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-24(2,3)28(21-13-6-4-7-14-21,22-15-8-5-9-16-22)27-17-11-10-12-20-18-23(26)25-19-20/h4-9,13-16,20H,10-12,17-19H2,1-3H3,(H,25,26).
What are the key properties of 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one?
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one has a molecular weight of 395.62 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one is sourced from PubChem (CID 162383982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).