3-ethenylsulfanylpropyl-diethoxy-methylsilane

C10H22O2SSi — CID 54521734

IUPAC3-ethenylsulfanylpropyl-diethoxy-methylsilane
SMILESC=CSCCC[Si](C)(OCC)OCC
InChIInChI=1S/C10H22O2SSi/c1-5-11-14(4,12-6-2)10-8-9-13-7-3/h7H,3,5-6,8-10H2,1-2,4H3
InChIKeyYQHDLOWURFBCNI-UHFFFAOYSA-N
MW234.44 g/mol
LogP3.40
Rot. Bonds9

About 3-ethenylsulfanylpropyl-diethoxy-methylsilane

3-ethenylsulfanylpropyl-diethoxy-methylsilane (PubChem CID 54521734) has the molecular formula C10H22O2SSi and a molecular weight of 234.44 g/mol. Its IUPAC name is 3-ethenylsulfanylpropyl-diethoxy-methylsilane.

Molecular Properties

Compound Name3-ethenylsulfanylpropyl-diethoxy-methylsilane
PubChem CID54521734
Molecular FormulaC10H22O2SSi
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Name3-ethenylsulfanylpropyl-diethoxy-methylsilane
SMILESC=CSCCC[Si](C)(OCC)OCC
InChIInChI=1S/C10H22O2SSi/c1-5-11-14(4,12-6-2)10-8-9-13-7-3/h7H,3,5-6,8-10H2,1-2,4H3
InChIKeyYQHDLOWURFBCNI-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-ethenylsulfanylpropyl-diethoxy-methylsilane?
The IUPAC name of 3-ethenylsulfanylpropyl-diethoxy-methylsilane (CID 54521734) is 3-ethenylsulfanylpropyl-diethoxy-methylsilane.
What is the SMILES notation for 3-ethenylsulfanylpropyl-diethoxy-methylsilane?
The canonical SMILES for 3-ethenylsulfanylpropyl-diethoxy-methylsilane is C=CSCCC[Si](C)(OCC)OCC.
What is the InChIKey of 3-ethenylsulfanylpropyl-diethoxy-methylsilane?
The InChIKey is YQHDLOWURFBCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2SSi/c1-5-11-14(4,12-6-2)10-8-9-13-7-3/h7H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of 3-ethenylsulfanylpropyl-diethoxy-methylsilane?
3-ethenylsulfanylpropyl-diethoxy-methylsilane has a molecular weight of 234.44 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanylpropyl-diethoxy-methylsilane is sourced from PubChem (CID 54521734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).