bromomethyl-(2-ethylbutoxy)-dimethylsilane

C9H21BrOSi — CID 91723171

IUPACbromomethyl-(2-ethylbutoxy)-dimethylsilane
SMILESCCC(CC)CO[Si](C)(C)CBr
InChIInChI=1S/C9H21BrOSi/c1-5-9(6-2)7-11-12(3,4)8-10/h9H,5-8H2,1-4H3
InChIKeyNXJCMZVEAKBIIT-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.58
Rot. Bonds6

About bromomethyl-(2-ethylbutoxy)-dimethylsilane

bromomethyl-(2-ethylbutoxy)-dimethylsilane (PubChem CID 91723171) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is bromomethyl-(2-ethylbutoxy)-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-(2-ethylbutoxy)-dimethylsilane
PubChem CID91723171
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Namebromomethyl-(2-ethylbutoxy)-dimethylsilane
SMILESCCC(CC)CO[Si](C)(C)CBr
InChIInChI=1S/C9H21BrOSi/c1-5-9(6-2)7-11-12(3,4)8-10/h9H,5-8H2,1-4H3
InChIKeyNXJCMZVEAKBIIT-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.58
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'}

Analyze bromomethyl-(2-ethylbutoxy)-dimethylsilane 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 bromomethyl-(2-ethylbutoxy)-dimethylsilane?
The IUPAC name of bromomethyl-(2-ethylbutoxy)-dimethylsilane (CID 91723171) is bromomethyl-(2-ethylbutoxy)-dimethylsilane.
What is the SMILES notation for bromomethyl-(2-ethylbutoxy)-dimethylsilane?
The canonical SMILES for bromomethyl-(2-ethylbutoxy)-dimethylsilane is CCC(CC)CO[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-(2-ethylbutoxy)-dimethylsilane?
The InChIKey is NXJCMZVEAKBIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-5-9(6-2)7-11-12(3,4)8-10/h9H,5-8H2,1-4H3.
What are the key properties of bromomethyl-(2-ethylbutoxy)-dimethylsilane?
bromomethyl-(2-ethylbutoxy)-dimethylsilane has a molecular weight of 253.26 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-(2-ethylbutoxy)-dimethylsilane is sourced from PubChem (CID 91723171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).