diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane

C15H17F17O2Si — CID 54143358

IUPACdiethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane
SMILESCCO[Si](C)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C15H17F17O2Si/c1-5-33-35(4,34-6-2)15(31,32)14(29,30)13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(3)16/h7H,5-6H2,1-4H3
InChIKeyOCQIXFBWWAEOJW-UHFFFAOYSA-N
MW580.35 g/mol
LogP7.11
Rot. Bonds13

About diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane

diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane (PubChem CID 54143358) has the molecular formula C15H17F17O2Si and a molecular weight of 580.35 g/mol. Its IUPAC name is diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane.

Molecular Properties

Compound Namediethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane
PubChem CID54143358
Molecular FormulaC15H17F17O2Si
Molecular Weight580.35 g/mol
Exact Mass580.07
IUPAC Namediethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane
SMILESCCO[Si](C)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C15H17F17O2Si/c1-5-33-35(4,34-6-2)15(31,32)14(29,30)13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(3)16/h7H,5-6H2,1-4H3
InChIKeyOCQIXFBWWAEOJW-UHFFFAOYSA-N
XLogP7.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.35
LogP ≤ 57.11
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

trimethyl(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
CID 87918105
tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
CID 87967611
triethoxy(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodecyl)silane
CID 21254451
chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
CID 23523530
triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane
CID 22721486
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl(trimethoxy)silane
CID 54245041
azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
CID 174929284
triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 159378661
dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane
CID 141324690
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane
CID 175108663
1-[diethoxy(methyl)silyl]propane-1,1-diol
CID 142706911
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy(trimethyl)silane
CID 14981318

Frequently Asked Questions

What is the IUPAC name of diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane?
The IUPAC name of diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane (CID 54143358) is diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane.
What is the SMILES notation for diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane?
The canonical SMILES for diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane is CCO[Si](C)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane?
The InChIKey is OCQIXFBWWAEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F17O2Si/c1-5-33-35(4,34-6-2)15(31,32)14(29,30)13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(3)16/h7H,5-6H2,1-4H3.
What are the key properties of diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane?
diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane has a molecular weight of 580.35 g/mol, XLogP of 7.11, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane is sourced from PubChem (CID 54143358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).