dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane

C13H30O5SSi — CID 58816829

IUPACdimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
SMILESCOCCOCCOCCSCCC[Si](C)(OC)OC
InChIInChI=1S/C13H30O5SSi/c1-14-6-7-17-8-9-18-10-12-19-11-5-13-20(4,15-2)16-3/h5-13H2,1-4H3
InChIKeyYZQODCJIYZTEAO-UHFFFAOYSA-N
MW326.53 g/mol
LogP2.15
Rot. Bonds15

About dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane

dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane (PubChem CID 58816829) has the molecular formula C13H30O5SSi and a molecular weight of 326.53 g/mol. Its IUPAC name is dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane.

Molecular Properties

Compound Namedimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
PubChem CID58816829
Molecular FormulaC13H30O5SSi
Molecular Weight326.53 g/mol
Exact Mass326.16
IUPAC Namedimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
SMILESCOCCOCCOCCSCCC[Si](C)(OC)OC
InChIInChI=1S/C13H30O5SSi/c1-14-6-7-17-8-9-18-10-12-19-11-5-13-20(4,15-2)16-3/h5-13H2,1-4H3
InChIKeyYZQODCJIYZTEAO-UHFFFAOYSA-N
XLogP2.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane?
The IUPAC name of dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane (CID 58816829) is dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane.
What is the SMILES notation for dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane?
The canonical SMILES for dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane is COCCOCCOCCSCCC[Si](C)(OC)OC.
What is the InChIKey of dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane?
The InChIKey is YZQODCJIYZTEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O5SSi/c1-14-6-7-17-8-9-18-10-12-19-11-5-13-20(4,15-2)16-3/h5-13H2,1-4H3.
What are the key properties of dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane?
dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane has a molecular weight of 326.53 g/mol, XLogP of 2.15, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane is sourced from PubChem (CID 58816829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).