2-bromoethyl-bis(but-2-enoxy)-methylsilane

C11H21BrO2Si — CID 54172886

IUPAC2-bromoethyl-bis(but-2-enoxy)-methylsilane
SMILESCC=CCO[Si](C)(CCBr)OCC=CC
InChIInChI=1S/C11H21BrO2Si/c1-4-6-9-13-15(3,11-8-12)14-10-7-5-2/h4-7H,8-11H2,1-3H3
InChIKeyOWGAMOWJAGRSQZ-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.64
Rot. Bonds8

About 2-bromoethyl-bis(but-2-enoxy)-methylsilane

2-bromoethyl-bis(but-2-enoxy)-methylsilane (PubChem CID 54172886) has the molecular formula C11H21BrO2Si and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-bromoethyl-bis(but-2-enoxy)-methylsilane.

Molecular Properties

Compound Name2-bromoethyl-bis(but-2-enoxy)-methylsilane
PubChem CID54172886
Molecular FormulaC11H21BrO2Si
Molecular Weight293.28 g/mol
Exact Mass292.05
IUPAC Name2-bromoethyl-bis(but-2-enoxy)-methylsilane
SMILESCC=CCO[Si](C)(CCBr)OCC=CC
InChIInChI=1S/C11H21BrO2Si/c1-4-6-9-13-15(3,11-8-12)14-10-7-5-2/h4-7H,8-11H2,1-3H3
InChIKeyOWGAMOWJAGRSQZ-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromoethyl-bis(but-2-enoxy)-methylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl-bis(but-2-enoxy)-methylsilane?
The IUPAC name of 2-bromoethyl-bis(but-2-enoxy)-methylsilane (CID 54172886) is 2-bromoethyl-bis(but-2-enoxy)-methylsilane.
What is the SMILES notation for 2-bromoethyl-bis(but-2-enoxy)-methylsilane?
The canonical SMILES for 2-bromoethyl-bis(but-2-enoxy)-methylsilane is CC=CCO[Si](C)(CCBr)OCC=CC.
What is the InChIKey of 2-bromoethyl-bis(but-2-enoxy)-methylsilane?
The InChIKey is OWGAMOWJAGRSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2Si/c1-4-6-9-13-15(3,11-8-12)14-10-7-5-2/h4-7H,8-11H2,1-3H3.
What are the key properties of 2-bromoethyl-bis(but-2-enoxy)-methylsilane?
2-bromoethyl-bis(but-2-enoxy)-methylsilane has a molecular weight of 293.28 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl-bis(but-2-enoxy)-methylsilane is sourced from PubChem (CID 54172886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).