diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane

C16H19F17O2Si — CID 87247873

IUPACdiethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane
SMILESCCO[Si](CC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C16H19F17O2Si/c1-4-34-36(6-3,35-5-2)16(32,33)15(30,31)14(28,29)13(26,27)12(24,25)11(22,23)9(17,18)7-8-10(19,20)21/h4-8H2,1-3H3
InChIKeyGFKFKOYXHOBDMY-UHFFFAOYSA-N
MW594.38 g/mol
LogP7.85
Rot. Bonds14

About diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane

diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane (PubChem CID 87247873) has the molecular formula C16H19F17O2Si and a molecular weight of 594.38 g/mol. Its IUPAC name is diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane.

Molecular Properties

Compound Namediethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane
PubChem CID87247873
Molecular FormulaC16H19F17O2Si
Molecular Weight594.38 g/mol
Exact Mass594.09
IUPAC Namediethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane
SMILESCCO[Si](CC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C16H19F17O2Si/c1-4-34-36(6-3,35-5-2)16(32,33)15(30,31)14(28,29)13(26,27)12(24,25)11(22,23)9(17,18)7-8-10(19,20)21/h4-8H2,1-3H3
InChIKeyGFKFKOYXHOBDMY-UHFFFAOYSA-N
XLogP7.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.38
LogP ≤ 57.85
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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Related Compounds

triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
CID 159939837
diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane
CID 175041903
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane
CID 175108663
tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
CID 87967614
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl acetate
CID 89413806
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
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
CID 138375957
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
CID 138375960
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane
CID 174993252
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507

Frequently Asked Questions

What is the IUPAC name of diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane?
The IUPAC name of diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane (CID 87247873) is diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane.
What is the SMILES notation for diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane?
The canonical SMILES for diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane is CCO[Si](CC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane?
The InChIKey is GFKFKOYXHOBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F17O2Si/c1-4-34-36(6-3,35-5-2)16(32,33)15(30,31)14(28,29)13(26,27)12(24,25)11(22,23)9(17,18)7-8-10(19,20)21/h4-8H2,1-3H3.
What are the key properties of diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane?
diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane has a molecular weight of 594.38 g/mol, XLogP of 7.85, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane is sourced from PubChem (CID 87247873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).