bromomethyl-(2-chloroethoxy)-dimethylsilane

C5H12BrClOSi — CID 91700385

IUPACbromomethyl-(2-chloroethoxy)-dimethylsilane
SMILESC[Si](C)(CBr)OCCCl
InChIInChI=1S/C5H12BrClOSi/c1-9(2,5-6)8-4-3-7/h3-5H2,1-2H3
InChIKeyMXJKZBJERBJYIT-UHFFFAOYSA-N
MW231.59 g/mol
LogP2.38
Rot. Bonds4

About bromomethyl-(2-chloroethoxy)-dimethylsilane

bromomethyl-(2-chloroethoxy)-dimethylsilane (PubChem CID 91700385) has the molecular formula C5H12BrClOSi and a molecular weight of 231.59 g/mol. Its IUPAC name is bromomethyl-(2-chloroethoxy)-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-(2-chloroethoxy)-dimethylsilane
PubChem CID91700385
Molecular FormulaC5H12BrClOSi
Molecular Weight231.59 g/mol
Exact Mass229.95
IUPAC Namebromomethyl-(2-chloroethoxy)-dimethylsilane
SMILESC[Si](C)(CBr)OCCCl
InChIInChI=1S/C5H12BrClOSi/c1-9(2,5-6)8-4-3-7/h3-5H2,1-2H3
InChIKeyMXJKZBJERBJYIT-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.59
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 bromomethyl-(2-chloroethoxy)-dimethylsilane?
The IUPAC name of bromomethyl-(2-chloroethoxy)-dimethylsilane (CID 91700385) is bromomethyl-(2-chloroethoxy)-dimethylsilane.
What is the SMILES notation for bromomethyl-(2-chloroethoxy)-dimethylsilane?
The canonical SMILES for bromomethyl-(2-chloroethoxy)-dimethylsilane is C[Si](C)(CBr)OCCCl.
What is the InChIKey of bromomethyl-(2-chloroethoxy)-dimethylsilane?
The InChIKey is MXJKZBJERBJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrClOSi/c1-9(2,5-6)8-4-3-7/h3-5H2,1-2H3.
What are the key properties of bromomethyl-(2-chloroethoxy)-dimethylsilane?
bromomethyl-(2-chloroethoxy)-dimethylsilane has a molecular weight of 231.59 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-(2-chloroethoxy)-dimethylsilane is sourced from PubChem (CID 91700385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).