ethoxy-methyl-octadecylsilane

C21H46OSi — CID 154047586

IUPACethoxy-methyl-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[SiH](C)OCC
InChIInChI=1S/C21H46OSi/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)22-5-2/h23H,4-21H2,1-3H3
InChIKeyOLCIWAKZEMMDGK-UHFFFAOYSA-N
MW342.68 g/mol
LogP7.64
Rot. Bonds19

About ethoxy-methyl-octadecylsilane

ethoxy-methyl-octadecylsilane (PubChem CID 154047586) has the molecular formula C21H46OSi and a molecular weight of 342.68 g/mol. Its IUPAC name is ethoxy-methyl-octadecylsilane.

Molecular Properties

Compound Nameethoxy-methyl-octadecylsilane
PubChem CID154047586
Molecular FormulaC21H46OSi
Molecular Weight342.68 g/mol
Exact Mass342.33
IUPAC Nameethoxy-methyl-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[SiH](C)OCC
InChIInChI=1S/C21H46OSi/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)22-5-2/h23H,4-21H2,1-3H3
InChIKeyOLCIWAKZEMMDGK-UHFFFAOYSA-N
XLogP7.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.68
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethoxy-hexyl-methylsilane
CID 154037673
diethoxy(tetracosyl)silane
CID 151502912
hexadecane;triethoxysilane
CID 164978259
methyl-methylsilyloxy-octylsilane
CID 173061708
methyl-di(tetradecyl)silane
CID 175036176
didecyl(methyl)silane
CID 71366123
dimethyl(nonyl)silane
CID 71400453
1-fluoroheptadecane;triethoxysilane
CID 175602103
heptadecyl(dioctyl)silane
CID 173389450
difluoro(undecyl)silane
CID 173381028
decane;ruthenium
CID 160818595
N-[3-[ethoxy(methyl)silyl]propyl]propan-2-imine
CID 172758866

Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-octadecylsilane?
The IUPAC name of ethoxy-methyl-octadecylsilane (CID 154047586) is ethoxy-methyl-octadecylsilane.
What is the SMILES notation for ethoxy-methyl-octadecylsilane?
The canonical SMILES for ethoxy-methyl-octadecylsilane is CCCCCCCCCCCCCCCCCC[SiH](C)OCC.
What is the InChIKey of ethoxy-methyl-octadecylsilane?
The InChIKey is OLCIWAKZEMMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OSi/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)22-5-2/h23H,4-21H2,1-3H3.
What are the key properties of ethoxy-methyl-octadecylsilane?
ethoxy-methyl-octadecylsilane has a molecular weight of 342.68 g/mol, XLogP of 7.64, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-octadecylsilane is sourced from PubChem (CID 154047586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).