tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate

C24H38BrNO3Si — CID 153449434

About tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate

tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate (PubChem CID 153449434) has the molecular formula C24H38BrNO3Si and a molecular weight of 496.56 g/mol. Its IUPAC name is tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate
• PubChem CID: 153449434
• Molecular Formula: C24H38BrNO3Si
• Molecular Weight: 496.56 g/mol
• Exact Mass: 495.18
• IUPAC Name: tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C(CO[Si](C)(C)C(C)(C)C)CCC12CCc1c(Br)cccc12
• InChI: InChI=1S/C24H38BrNO3Si/c1-22(2,3)29-21(27)26-17(16-28-30(7,8)23(4,5)6)12-14-24(26)15-13-18-19(24)10-9-11-20(18)25/h9-11,17H,12-16H2,1-8H3
• InChIKey: SUZVNFPHAKCAJJ-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate?

The IUPAC name of tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate (CID 153449434) is tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate.

What is the SMILES notation for tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate?

The canonical SMILES for tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate is CC(C)(C)OC(=O)N1C(CO[Si](C)(C)C(C)(C)C)CCC12CCc1c(Br)cccc12.

What is the InChIKey of tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate?

The InChIKey is SUZVNFPHAKCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38BrNO3Si/c1-22(2,3)29-21(27)26-17(16-28-30(7,8)23(4,5)6)12-14-24(26)15-13-18-19(24)10-9-11-20(18)25/h9-11,17H,12-16H2,1-8H3.

What are the key properties of tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate?

tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate has a molecular weight of 496.56 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-bromo-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[1,2-dihydroindene-3,2'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 153449434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).