20-triethoxysilylicosane-1-thiol

C26H56O3SSi — CID 87684173

IUPAC20-triethoxysilylicosane-1-thiol
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCS)(OCC)OCC
InChIInChI=1S/C26H56O3SSi/c1-4-27-31(28-5-2,29-6-3)26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-30/h30H,4-26H2,1-3H3
InChIKeyXTDPLTIIZCKFLU-UHFFFAOYSA-N
MW476.88 g/mol
LogP8.99
Rot. Bonds26

About 20-triethoxysilylicosane-1-thiol

20-triethoxysilylicosane-1-thiol (PubChem CID 87684173) has the molecular formula C26H56O3SSi and a molecular weight of 476.88 g/mol. Its IUPAC name is 20-triethoxysilylicosane-1-thiol.

Molecular Properties

Compound Name20-triethoxysilylicosane-1-thiol
PubChem CID87684173
Molecular FormulaC26H56O3SSi
Molecular Weight476.88 g/mol
Exact Mass476.37
IUPAC Name20-triethoxysilylicosane-1-thiol
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCS)(OCC)OCC
InChIInChI=1S/C26H56O3SSi/c1-4-27-31(28-5-2,29-6-3)26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-30/h30H,4-26H2,1-3H3
InChIKeyXTDPLTIIZCKFLU-UHFFFAOYSA-N
XLogP8.99
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 58.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

29-triethoxysilylnonacosane-1-thiol
CID 87683851
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
silane;triethoxy(tetradecyl)silane
CID 161365398
12-[diethoxy(ethyl)silyl]dodecane-1-thiol
CID 87831762

Frequently Asked Questions

What is the IUPAC name of 20-triethoxysilylicosane-1-thiol?
The IUPAC name of 20-triethoxysilylicosane-1-thiol (CID 87684173) is 20-triethoxysilylicosane-1-thiol.
What is the SMILES notation for 20-triethoxysilylicosane-1-thiol?
The canonical SMILES for 20-triethoxysilylicosane-1-thiol is CCO[Si](CCCCCCCCCCCCCCCCCCCCS)(OCC)OCC.
What is the InChIKey of 20-triethoxysilylicosane-1-thiol?
The InChIKey is XTDPLTIIZCKFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O3SSi/c1-4-27-31(28-5-2,29-6-3)26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-30/h30H,4-26H2,1-3H3.
What are the key properties of 20-triethoxysilylicosane-1-thiol?
20-triethoxysilylicosane-1-thiol has a molecular weight of 476.88 g/mol, XLogP of 8.99, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-triethoxysilylicosane-1-thiol is sourced from PubChem (CID 87684173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).