2-(3-bromophenyl)ethynyl-triethylsilane

C14H19BrSi — CID 10851378

IUPAC2-(3-bromophenyl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1cccc(Br)c1)(CC)CC
InChIInChI=1S/C14H19BrSi/c1-4-16(5-2,6-3)11-10-13-8-7-9-14(15)12-13/h7-9,12H,4-6H2,1-3H3
InChIKeyFPSFCWMZOOXUFM-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.85
Rot. Bonds3

About 2-(3-bromophenyl)ethynyl-triethylsilane

2-(3-bromophenyl)ethynyl-triethylsilane (PubChem CID 10851378) has the molecular formula C14H19BrSi and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)ethynyl-triethylsilane.

Molecular Properties

Compound Name2-(3-bromophenyl)ethynyl-triethylsilane
PubChem CID10851378
Molecular FormulaC14H19BrSi
Molecular Weight295.30 g/mol
Exact Mass294.04
IUPAC Name2-(3-bromophenyl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1cccc(Br)c1)(CC)CC
InChIInChI=1S/C14H19BrSi/c1-4-16(5-2,6-3)11-10-13-8-7-9-14(15)12-13/h7-9,12H,4-6H2,1-3H3
InChIKeyFPSFCWMZOOXUFM-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)ethynyl-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzene, 1-bromo-3-ethyl-
CID 123170
1-Bromo-3-hexylbenzene
CID 563022
1-Bromo-4-(1-propynyl)benzene
CID 575587
((3-Bromophenyl)ethynyl)trimethylsilane
CID 3683324
(2-Bromophenylethynyl)trimethylsilane
CID 4547398
1-Bromo-3-ethynylbenzene
CID 11480818
(4-Bromophenylethynyl)trimethylsilane
CID 4226980
(4-Bromobenzyl)trimethylsilane
CID 5043463
1-Bromo-3-(but-3-en-1-yl)benzene
CID 15725165
1-Bromo-3-(prop-1-yn-1-yl)benzene
CID 69181882
1-Bromo-3-(prop-1-en-2-yl)benzene
CID 12321394
1-Allyl-3-bromobenzene
CID 12407132

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)ethynyl-triethylsilane?
The IUPAC name of 2-(3-bromophenyl)ethynyl-triethylsilane (CID 10851378) is 2-(3-bromophenyl)ethynyl-triethylsilane.
What is the SMILES notation for 2-(3-bromophenyl)ethynyl-triethylsilane?
The canonical SMILES for 2-(3-bromophenyl)ethynyl-triethylsilane is CC[Si](C#Cc1cccc(Br)c1)(CC)CC.
What is the InChIKey of 2-(3-bromophenyl)ethynyl-triethylsilane?
The InChIKey is FPSFCWMZOOXUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrSi/c1-4-16(5-2,6-3)11-10-13-8-7-9-14(15)12-13/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)ethynyl-triethylsilane?
2-(3-bromophenyl)ethynyl-triethylsilane has a molecular weight of 295.30 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)ethynyl-triethylsilane is sourced from PubChem (CID 10851378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).