2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane

C12H27BrO3Si — CID 18469819

IUPAC2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCBr
InChIInChI=1S/C12H27BrO3Si/c1-12(2,3)17(4,5)16-11-10-15-9-8-14-7-6-13/h6-11H2,1-5H3
InChIKeyFVKQGXGGSCBBKQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.44
Rot. Bonds9

About 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane

2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane (PubChem CID 18469819) has the molecular formula C12H27BrO3Si and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane
PubChem CID18469819
Molecular FormulaC12H27BrO3Si
Molecular Weight327.34 g/mol
Exact Mass326.09
IUPAC Name2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCBr
InChIInChI=1S/C12H27BrO3Si/c1-12(2,3)17(4,5)16-11-10-15-9-8-14-7-6-13/h6-11H2,1-5H3
InChIKeyFVKQGXGGSCBBKQ-UHFFFAOYSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane (CID 18469819) is 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOCCOCCBr.
What is the InChIKey of 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is FVKQGXGGSCBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrO3Si/c1-12(2,3)17(4,5)16-11-10-15-9-8-14-7-6-13/h6-11H2,1-5H3.
What are the key properties of 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane?
2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 327.34 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 18469819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).