[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

C16H26BrNOSi — CID 67148861

IUPAC[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H26BrNOSi/c1-16(2,3)20(4,5)19-15-10-11-18(12-15)14-8-6-13(17)7-9-14/h6-9,15H,10-12H2,1-5H3
InChIKeyUKTHKRGBCUMPHH-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.05
Rot. Bonds3

About [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 67148861) has the molecular formula C16H26BrNOSi and a molecular weight of 356.38 g/mol. Its IUPAC name is [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID67148861
Molecular FormulaC16H26BrNOSi
Molecular Weight356.38 g/mol
Exact Mass355.10
IUPAC Name[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H26BrNOSi/c1-16(2,3)20(4,5)19-15-10-11-18(12-15)14-8-6-13(17)7-9-14/h6-9,15H,10-12H2,1-5H3
InChIKeyUKTHKRGBCUMPHH-UHFFFAOYSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (CID 67148861) is [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UKTHKRGBCUMPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNOSi/c1-16(2,3)20(4,5)19-15-10-11-18(12-15)14-8-6-13(17)7-9-14/h6-9,15H,10-12H2,1-5H3.
What are the key properties of [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 356.38 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 67148861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).