tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate

C25H33NO2Si2 — CID 44552230

IUPACtert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c([Si](C)(C)c2ccccc2)ccc1[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H33NO2Si2/c1-25(2,3)28-24(27)26-22(29(4,5)20-14-10-8-11-15-20)18-19-23(26)30(6,7)21-16-12-9-13-17-21/h8-19H,1-7H3
InChIKeyUIAQISSUFQMMAW-UHFFFAOYSA-N
MW435.72 g/mol
LogP3.92
Rot. Bonds4

About tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate

tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate (PubChem CID 44552230) has the molecular formula C25H33NO2Si2 and a molecular weight of 435.72 g/mol. Its IUPAC name is tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
PubChem CID44552230
Molecular FormulaC25H33NO2Si2
Molecular Weight435.72 g/mol
Exact Mass435.20
IUPAC Nametert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c([Si](C)(C)c2ccccc2)ccc1[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H33NO2Si2/c1-25(2,3)28-24(27)26-22(29(4,5)20-14-10-8-11-15-20)18-19-23(26)30(6,7)21-16-12-9-13-17-21/h8-19H,1-7H3
InChIKeyUIAQISSUFQMMAW-UHFFFAOYSA-N
XLogP3.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.72
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate (CID 44552230) is tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate is CC(C)(C)OC(=O)n1c([Si](C)(C)c2ccccc2)ccc1[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate?
The InChIKey is UIAQISSUFQMMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2Si2/c1-25(2,3)28-24(27)26-22(29(4,5)20-14-10-8-11-15-20)18-19-23(26)30(6,7)21-16-12-9-13-17-21/h8-19H,1-7H3.
What are the key properties of tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate?
tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate has a molecular weight of 435.72 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate is sourced from PubChem (CID 44552230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).