ethenyl(trioctadecyl)silane

C56H114Si — CID 86654445

IUPACethenyl(trioctadecyl)silane
SMILESC=C[Si](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C56H114Si/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57(8-4,55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h8H,4-7,9-56H2,1-3H3
InChIKeyPJKHWSUITXWPBX-UHFFFAOYSA-N
MW815.61 g/mol
LogP21.94
Rot. Bonds52

About ethenyl(trioctadecyl)silane

ethenyl(trioctadecyl)silane (PubChem CID 86654445) has the molecular formula C56H114Si and a molecular weight of 815.61 g/mol. Its IUPAC name is ethenyl(trioctadecyl)silane.

Molecular Properties

Compound Nameethenyl(trioctadecyl)silane
PubChem CID86654445
Molecular FormulaC56H114Si
Molecular Weight815.61 g/mol
Exact Mass814.87
IUPAC Nameethenyl(trioctadecyl)silane
SMILESC=C[Si](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C56H114Si/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57(8-4,55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h8H,4-7,9-56H2,1-3H3
InChIKeyPJKHWSUITXWPBX-UHFFFAOYSA-N
XLogP21.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds52
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.61
LogP ≤ 521.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

ethenol;heptadecane
CID 158851930
ethane;prop-1-ene;undecane
CID 171541850
dichloro-octyl-prop-2-enylsilane
CID 15447229
[(1Z)-buta-1,3-dienyl]-hexyl-dimethylsilane
CID 46919510
ethene;undecane
CID 161157037
butyl-dihexyl-octylsilane
CID 168803297
but-1-ene;ethane;nonane
CID 170645806
decyl-hexadecyl-methyl-octylsilane
CID 14474508
henoctacontane
CID 22086342
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of ethenyl(trioctadecyl)silane?
The IUPAC name of ethenyl(trioctadecyl)silane (CID 86654445) is ethenyl(trioctadecyl)silane.
What is the SMILES notation for ethenyl(trioctadecyl)silane?
The canonical SMILES for ethenyl(trioctadecyl)silane is C=C[Si](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of ethenyl(trioctadecyl)silane?
The InChIKey is PJKHWSUITXWPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H114Si/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57(8-4,55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h8H,4-7,9-56H2,1-3H3.
What are the key properties of ethenyl(trioctadecyl)silane?
ethenyl(trioctadecyl)silane has a molecular weight of 815.61 g/mol, XLogP of 21.94, 52 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trioctadecyl)silane is sourced from PubChem (CID 86654445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).