2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane

C12H26O3SSi — CID 88825199

IUPAC2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane
SMILESCC/C=C/SCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O3SSi/c1-5-9-10-16-11-12-17(13-6-2,14-7-3)15-8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9+
InChIKeyRJRIBPYIIBVMFE-MDZDMXLPSA-N
MW278.49 g/mol
LogP3.69
Rot. Bonds11

About 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane

2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane (PubChem CID 88825199) has the molecular formula C12H26O3SSi and a molecular weight of 278.49 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane
PubChem CID88825199
Molecular FormulaC12H26O3SSi
Molecular Weight278.49 g/mol
Exact Mass278.14
IUPAC Name2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane
SMILESCC/C=C/SCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O3SSi/c1-5-9-10-16-11-12-17(13-6-2,14-7-3)15-8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9+
InChIKeyRJRIBPYIIBVMFE-MDZDMXLPSA-N
XLogP3.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-but-1-enylsulfanylethyl(triethoxy)silane
CID 154418740
(E)-1-propylsulfanylbut-1-ene
CID 12664845
triethoxy(non-6-enyl)silane
CID 123954168
triethoxy-[(E)-non-6-enyl]silane
CID 87112424
triethoxy(2-triethylsilylsulfanylethyl)silane
CID 162392108
2-(2-triethoxysilylethylsulfanyl)ethanethiol
CID 13068518
(Z)-1-ethylsulfanylbut-1-ene
CID 5463148
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy(5-methylnon-6-enyl)silane
CID 123147693
1-methylsulfanylbut-1-ene
CID 519416
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
3-triethoxysilylpropanethial
CID 18619109

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane?
The IUPAC name of 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane (CID 88825199) is 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane.
What is the SMILES notation for 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane?
The canonical SMILES for 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane is CC/C=C/SCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane?
The InChIKey is RJRIBPYIIBVMFE-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H26O3SSi/c1-5-9-10-16-11-12-17(13-6-2,14-7-3)15-8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9+.
What are the key properties of 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane?
2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane has a molecular weight of 278.49 g/mol, XLogP of 3.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane is sourced from PubChem (CID 88825199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).