(2-bromo-3,3-dimethylbutoxy)-dimethylsilane

C8H19BrOSi — CID 173188827

IUPAC(2-bromo-3,3-dimethylbutoxy)-dimethylsilane
SMILESC[SiH](C)OCC(Br)C(C)(C)C
InChIInChI=1S/C8H19BrOSi/c1-8(2,3)7(9)6-10-11(4)5/h7,11H,6H2,1-5H3
InChIKeySWUCTHWDMIFNQW-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.80
Rot. Bonds3

About (2-bromo-3,3-dimethylbutoxy)-dimethylsilane

(2-bromo-3,3-dimethylbutoxy)-dimethylsilane (PubChem CID 173188827) has the molecular formula C8H19BrOSi and a molecular weight of 239.23 g/mol. Its IUPAC name is (2-bromo-3,3-dimethylbutoxy)-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-3,3-dimethylbutoxy)-dimethylsilane
PubChem CID173188827
Molecular FormulaC8H19BrOSi
Molecular Weight239.23 g/mol
Exact Mass238.04
IUPAC Name(2-bromo-3,3-dimethylbutoxy)-dimethylsilane
SMILESC[SiH](C)OCC(Br)C(C)(C)C
InChIInChI=1S/C8H19BrOSi/c1-8(2,3)7(9)6-10-11(4)5/h7,11H,6H2,1-5H3
InChIKeySWUCTHWDMIFNQW-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.80
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 (2-bromo-3,3-dimethylbutoxy)-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 (2-bromo-3,3-dimethylbutoxy)-dimethylsilane?
The IUPAC name of (2-bromo-3,3-dimethylbutoxy)-dimethylsilane (CID 173188827) is (2-bromo-3,3-dimethylbutoxy)-dimethylsilane.
What is the SMILES notation for (2-bromo-3,3-dimethylbutoxy)-dimethylsilane?
The canonical SMILES for (2-bromo-3,3-dimethylbutoxy)-dimethylsilane is C[SiH](C)OCC(Br)C(C)(C)C.
What is the InChIKey of (2-bromo-3,3-dimethylbutoxy)-dimethylsilane?
The InChIKey is SWUCTHWDMIFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BrOSi/c1-8(2,3)7(9)6-10-11(4)5/h7,11H,6H2,1-5H3.
What are the key properties of (2-bromo-3,3-dimethylbutoxy)-dimethylsilane?
(2-bromo-3,3-dimethylbutoxy)-dimethylsilane has a molecular weight of 239.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,3-dimethylbutoxy)-dimethylsilane is sourced from PubChem (CID 173188827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).