6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane

C23H49BrO2SSi — CID 170743167

IUPAC6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane
SMILESCCCCCCCSC(CCCCCCC)O[Si](C)(C)OCCCCCCBr
InChIInChI=1S/C23H49BrO2SSi/c1-5-7-9-11-15-19-23(27-22-18-14-10-8-6-2)26-28(3,4)25-21-17-13-12-16-20-24/h23H,5-22H2,1-4H3
InChIKeyWUFOQOMXNRIUII-UHFFFAOYSA-N
MW497.70 g/mol
LogP9.07
Rot. Bonds22

About 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane

6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane (PubChem CID 170743167) has the molecular formula C23H49BrO2SSi and a molecular weight of 497.70 g/mol. Its IUPAC name is 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane.

Molecular Properties

Compound Name6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane
PubChem CID170743167
Molecular FormulaC23H49BrO2SSi
Molecular Weight497.70 g/mol
Exact Mass496.24
IUPAC Name6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane
SMILESCCCCCCCSC(CCCCCCC)O[Si](C)(C)OCCCCCCBr
InChIInChI=1S/C23H49BrO2SSi/c1-5-7-9-11-15-19-23(27-22-18-14-10-8-6-2)26-28(3,4)25-21-17-13-12-16-20-24/h23H,5-22H2,1-4H3
InChIKeyWUFOQOMXNRIUII-UHFFFAOYSA-N
XLogP9.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.70
LogP ≤ 59.07
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-bromohexoxysulfanyloxy)-1-heptylsulfanyloctane
CID 170743171
dimethyl-octoxy-pentan-2-yloxysilane
CID 91736775
dodecoxy-hexan-2-yloxy-dimethylsilane
CID 91741105
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
hexadecoxy-dimethyl-(4-methylpentoxy)silane
CID 91744434
heptoxy-dimethyl-(4-methylpentoxy)silane
CID 91739178
bis[[hexoxy(dimethyl)silyl]oxy]-dimethylsilane
CID 22506143
6-bromohexoxy-butyl-dimethylsilane
CID 154264730
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
10-bromo-1,1-di(nonoxy)decane
CID 146509943
11-(7-bromoheptyl)tricosane
CID 175669850

Frequently Asked Questions

What is the IUPAC name of 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane?
The IUPAC name of 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane (CID 170743167) is 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane.
What is the SMILES notation for 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane?
The canonical SMILES for 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane is CCCCCCCSC(CCCCCCC)O[Si](C)(C)OCCCCCCBr.
What is the InChIKey of 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane?
The InChIKey is WUFOQOMXNRIUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49BrO2SSi/c1-5-7-9-11-15-19-23(27-22-18-14-10-8-6-2)26-28(3,4)25-21-17-13-12-16-20-24/h23H,5-22H2,1-4H3.
What are the key properties of 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane?
6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane has a molecular weight of 497.70 g/mol, XLogP of 9.07, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexoxy-(1-heptylsulfanyloctoxy)-dimethylsilane is sourced from PubChem (CID 170743167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).