diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane

C12H21F7O2Si — CID 22600763

IUPACdiethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane
SMILESCCO[Si](CC)(CCCC(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C12H21F7O2Si/c1-4-20-22(6-3,21-5-2)9-7-8-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3
InChIKeyYTFUZVJXLGHLPQ-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.13
Rot. Bonds10

About diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane

diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane (PubChem CID 22600763) has the molecular formula C12H21F7O2Si and a molecular weight of 358.37 g/mol. Its IUPAC name is diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane.

Molecular Properties

Compound Namediethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane
PubChem CID22600763
Molecular FormulaC12H21F7O2Si
Molecular Weight358.37 g/mol
Exact Mass358.12
IUPAC Namediethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane
SMILESCCO[Si](CC)(CCCC(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C12H21F7O2Si/c1-4-20-22(6-3,21-5-2)9-7-8-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3
InChIKeyYTFUZVJXLGHLPQ-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane?
The IUPAC name of diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane (CID 22600763) is diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane.
What is the SMILES notation for diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane?
The canonical SMILES for diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane is CCO[Si](CC)(CCCC(F)(F)C(F)(F)C(F)(F)F)OCC.
What is the InChIKey of diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane?
The InChIKey is YTFUZVJXLGHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F7O2Si/c1-4-20-22(6-3,21-5-2)9-7-8-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3.
What are the key properties of diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane?
diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane has a molecular weight of 358.37 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-(4,4,5,5,6,6,6-heptafluorohexyl)silane is sourced from PubChem (CID 22600763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).