triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

C12H19F9O3Si — CID 22600765

IUPACtriethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3
InChIKeyNYIKUOULKCEZDO-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.89
Rot. Bonds11

About triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (PubChem CID 22600765) has the molecular formula C12H19F9O3Si and a molecular weight of 410.35 g/mol. Its IUPAC name is triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Nametriethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
PubChem CID22600765
Molecular FormulaC12H19F9O3Si
Molecular Weight410.35 g/mol
Exact Mass410.10
IUPAC Nametriethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3
InChIKeyNYIKUOULKCEZDO-UHFFFAOYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The IUPAC name of triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (CID 22600765) is triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.
What is the InChIKey of triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The InChIKey is NYIKUOULKCEZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3.
What are the key properties of triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane has a molecular weight of 410.35 g/mol, XLogP of 4.89, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 22600765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).