3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane

C20H46O5S2Si2 — CID 169283673

IUPAC3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane
SMILESCOCCOCCSCCC[Si](C)(C)O[Si](C)(C)CCCSCCOCCOC
InChIInChI=1S/C20H46O5S2Si2/c1-21-9-11-23-13-17-26-15-7-19-28(3,4)25-29(5,6)20-8-16-27-18-14-24-12-10-22-2/h7-20H2,1-6H3
InChIKeyMLOUPTGIHNIBIP-UHFFFAOYSA-N
MW486.89 g/mol
LogP4.99
Rot. Bonds22

About 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane

3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane (PubChem CID 169283673) has the molecular formula C20H46O5S2Si2 and a molecular weight of 486.89 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane
PubChem CID169283673
Molecular FormulaC20H46O5S2Si2
Molecular Weight486.89 g/mol
Exact Mass486.23
IUPAC Name3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane
SMILESCOCCOCCSCCC[Si](C)(C)O[Si](C)(C)CCCSCCOCCOC
InChIInChI=1S/C20H46O5S2Si2/c1-21-9-11-23-13-17-26-15-7-19-28(3,4)25-29(5,6)20-8-16-27-18-14-24-12-10-22-2/h7-20H2,1-6H3
InChIKeyMLOUPTGIHNIBIP-UHFFFAOYSA-N
XLogP4.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.89
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
CID 58816829
3-(2-methoxyethoxy)propyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilane
CID 58607575
potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane
CID 139243285
methane;3-(2-methoxyethoxy)propyl-dimethyl-trimethylsilyloxysilane
CID 160993525
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
CID 169283665
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene
CID 152523585
methoxy-[11-[3-(2-methoxyethoxy)propoxy]undecyl]-dimethylsilane
CID 142718663
methoxy-[11-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]undecyl]-dimethylsilane
CID 142718573
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
CID 23516617
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane (CID 169283673) is 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane is COCCOCCSCCC[Si](C)(C)O[Si](C)(C)CCCSCCOCCOC.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is MLOUPTGIHNIBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O5S2Si2/c1-21-9-11-23-13-17-26-15-7-19-28(3,4)25-29(5,6)20-8-16-27-18-14-24-12-10-22-2/h7-20H2,1-6H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane?
3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 486.89 g/mol, XLogP of 4.99, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 169283673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).