triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane

C12H19F9OSi — CID 132934764

IUPACtriethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
SMILESCC[Si](CC)(CC)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H19F9OSi/c1-4-23(5-2,6-3)22-8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3
InChIKeyPYDDHBSMSKRJGS-UHFFFAOYSA-N
MW378.35 g/mol
LogP5.87
Rot. Bonds9

About triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane

triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane (PubChem CID 132934764) has the molecular formula C12H19F9OSi and a molecular weight of 378.35 g/mol. Its IUPAC name is triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane.

Molecular Properties

Compound Nametriethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
PubChem CID132934764
Molecular FormulaC12H19F9OSi
Molecular Weight378.35 g/mol
Exact Mass378.11
IUPAC Nametriethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
SMILESCC[Si](CC)(CC)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H19F9OSi/c1-4-23(5-2,6-3)22-8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3
InChIKeyPYDDHBSMSKRJGS-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

12-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 58954528
diethyl-(3,3,4,4,5,5,5-heptafluoropentyl)-methoxysilane
CID 59112306
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 163325065
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
CID 171316019
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 159728593
benzyl-diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 139931305
diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane
CID 155607261
3,3,4,4,5,5,6,6,6-nonafluorohexyl propyl carbonate
CID 99769637
(Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 138396238
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-octoxydodecane
CID 18787826
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl acetate
CID 121274321

Frequently Asked Questions

What is the IUPAC name of triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
The IUPAC name of triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane (CID 132934764) is triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane.
What is the SMILES notation for triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
The canonical SMILES for triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane is CC[Si](CC)(CC)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
The InChIKey is PYDDHBSMSKRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F9OSi/c1-4-23(5-2,6-3)22-8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3.
What are the key properties of triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane has a molecular weight of 378.35 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane is sourced from PubChem (CID 132934764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).