triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

C12H15F13O3Si — CID 18519550

IUPACtriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13O3Si/c1-4-26-29(27-5-2,28-6-3)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h4-6H2,1-3H3
InChIKeyCWADCEPQDAVXPG-UHFFFAOYSA-N
MW482.31 g/mol
LogP5.31
Rot. Bonds11

About triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (PubChem CID 18519550) has the molecular formula C12H15F13O3Si and a molecular weight of 482.31 g/mol. Its IUPAC name is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.

Molecular Properties

Compound Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
PubChem CID18519550
Molecular FormulaC12H15F13O3Si
Molecular Weight482.31 g/mol
Exact Mass482.06
IUPAC Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13O3Si/c1-4-26-29(27-5-2,28-6-3)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h4-6H2,1-3H3
InChIKeyCWADCEPQDAVXPG-UHFFFAOYSA-N
XLogP5.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.31
LogP ≤ 55.31
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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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriethoxysilan
CID 103991
((Perfluorobutyl)ethyl)trimethoxysilane
CID 15651659
Perfluorooctyltriethoxysilane
CID 11657151
Triethoxy(henicosafluorodecyl)silane
CID 21879873
(3,3,4,4,5,5,5-Heptafluoropentyl)(trimethoxy)silane
CID 52991970
Triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
CID 53437828
Ethoxydimethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl) silane
CID 59112321
Ethoxydimethyl (3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl) silane
CID 59112362
Ethoxydimethyl (3,3,4,4,5,5,5-heptafluoropentyl) silane
CID 59112366
Diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 146679098
Ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 146679269
Heptadecafluorodecyltrimethoxysilane
CID 17814190

Frequently Asked Questions

What is the IUPAC name of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The IUPAC name of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (CID 18519550) is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.
What is the SMILES notation for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The canonical SMILES for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The InChIKey is CWADCEPQDAVXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F13O3Si/c1-4-26-29(27-5-2,28-6-3)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h4-6H2,1-3H3.
What are the key properties of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane has a molecular weight of 482.31 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is sourced from PubChem (CID 18519550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).