4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane

C15H39BrO2Si4 — CID 58104700

IUPAC4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CCCCBr
InChIInChI=1S/C15H39BrO2Si4/c1-19(2,3)17-21(6,7)14-15-22(8,9)18-20(4,5)13-11-10-12-16/h10-15H2,1-9H3
InChIKeyUNQFDTJXFMNDHM-UHFFFAOYSA-N
MW443.72 g/mol
LogP6.64
Rot. Bonds11

About 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane

4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane (PubChem CID 58104700) has the molecular formula C15H39BrO2Si4 and a molecular weight of 443.72 g/mol. Its IUPAC name is 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Name4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane
PubChem CID58104700
Molecular FormulaC15H39BrO2Si4
Molecular Weight443.72 g/mol
Exact Mass442.12
IUPAC Name4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CCCCBr
InChIInChI=1S/C15H39BrO2Si4/c1-19(2,3)17-21(6,7)14-15-22(8,9)18-20(4,5)13-11-10-12-16/h10-15H2,1-9H3
InChIKeyUNQFDTJXFMNDHM-UHFFFAOYSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.72
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethyl-trimethylsilyloxysilane
CID 53406149
dimethyl-pentyl-trimethylsilyloxysilane
CID 59128075
4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane
CID 161242476
4-methoxybutyl-dimethyl-trimethylsilyloxysilane
CID 59691033
[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-dimethylsilane
CID 150264689
dimethylsilyloxy-[6-[dimethyl(trimethylsilyloxy)silyl]hexyl]-dimethylsilane
CID 173480533
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776
8-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]octan-1-ol
CID 20732733
tetrakis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl]phosphanium
CID 88887480
3-(fluoromethoxy)propyl-dimethyl-trimethylsilyloxysilane
CID 58238476

Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane (CID 58104700) is 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane is C[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CCCCBr.
What is the InChIKey of 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is UNQFDTJXFMNDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H39BrO2Si4/c1-19(2,3)17-21(6,7)14-15-22(8,9)18-20(4,5)13-11-10-12-16/h10-15H2,1-9H3.
What are the key properties of 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 443.72 g/mol, XLogP of 6.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl-[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 58104700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).