3-bromopropyl(phenyl)silane

C9H13BrSi — CID 123798482

IUPAC3-bromopropyl(phenyl)silane
SMILESBrCCC[SiH2]c1ccccc1
InChIInChI=1S/C9H13BrSi/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2
InChIKeyOMZXADGPHMVXBO-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.68
Rot. Bonds4

About 3-bromopropyl(phenyl)silane

3-bromopropyl(phenyl)silane (PubChem CID 123798482) has the molecular formula C9H13BrSi and a molecular weight of 229.19 g/mol. Its IUPAC name is 3-bromopropyl(phenyl)silane.

Molecular Properties

Compound Name3-bromopropyl(phenyl)silane
PubChem CID123798482
Molecular FormulaC9H13BrSi
Molecular Weight229.19 g/mol
Exact Mass228.00
IUPAC Name3-bromopropyl(phenyl)silane
SMILESBrCCC[SiH2]c1ccccc1
InChIInChI=1S/C9H13BrSi/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2
InChIKeyOMZXADGPHMVXBO-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(phenyl)silane?
The IUPAC name of 3-bromopropyl(phenyl)silane (CID 123798482) is 3-bromopropyl(phenyl)silane.
What is the SMILES notation for 3-bromopropyl(phenyl)silane?
The canonical SMILES for 3-bromopropyl(phenyl)silane is BrCCC[SiH2]c1ccccc1.
What is the InChIKey of 3-bromopropyl(phenyl)silane?
The InChIKey is OMZXADGPHMVXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrSi/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2.
What are the key properties of 3-bromopropyl(phenyl)silane?
3-bromopropyl(phenyl)silane has a molecular weight of 229.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(phenyl)silane is sourced from PubChem (CID 123798482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).