3-bromopropyl(triphenyl)silane

C21H21BrSi — CID 4148008

IUPAC3-bromopropyl(triphenyl)silane
SMILESBrCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BrSi/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyZFXHHEFPXKTMDE-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.94
Rot. Bonds6

About 3-bromopropyl(triphenyl)silane

3-bromopropyl(triphenyl)silane (PubChem CID 4148008) has the molecular formula C21H21BrSi and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-bromopropyl(triphenyl)silane.

Molecular Properties

Compound Name3-bromopropyl(triphenyl)silane
PubChem CID4148008
Molecular FormulaC21H21BrSi
Molecular Weight381.39 g/mol
Exact Mass380.06
IUPAC Name3-bromopropyl(triphenyl)silane
SMILESBrCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BrSi/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyZFXHHEFPXKTMDE-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(triphenyl)silane?
The IUPAC name of 3-bromopropyl(triphenyl)silane (CID 4148008) is 3-bromopropyl(triphenyl)silane.
What is the SMILES notation for 3-bromopropyl(triphenyl)silane?
The canonical SMILES for 3-bromopropyl(triphenyl)silane is BrCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromopropyl(triphenyl)silane?
The InChIKey is ZFXHHEFPXKTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrSi/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2.
What are the key properties of 3-bromopropyl(triphenyl)silane?
3-bromopropyl(triphenyl)silane has a molecular weight of 381.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(triphenyl)silane is sourced from PubChem (CID 4148008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).