trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane

C11H13F13OSi — CID 18927686

IUPACtrimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane
SMILESC[Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F13OSi/c1-26(2,3)25-5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
InChIKeyGGXXARWXVGCQJV-UHFFFAOYSA-N
MW436.28 g/mol
LogP5.97
Rot. Bonds8

About trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane

trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane (PubChem CID 18927686) has the molecular formula C11H13F13OSi and a molecular weight of 436.28 g/mol. Its IUPAC name is trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane.

Molecular Properties

Compound Nametrimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane
PubChem CID18927686
Molecular FormulaC11H13F13OSi
Molecular Weight436.28 g/mol
Exact Mass436.05
IUPAC Nametrimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane
SMILESC[Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F13OSi/c1-26(2,3)25-5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
InChIKeyGGXXARWXVGCQJV-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.28
LogP ≤ 55.97
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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Frequently Asked Questions

What is the IUPAC name of trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane?
The IUPAC name of trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane (CID 18927686) is trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane.
What is the SMILES notation for trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane?
The canonical SMILES for trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane is C[Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane?
The InChIKey is GGXXARWXVGCQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F13OSi/c1-26(2,3)25-5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3.
What are the key properties of trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane?
trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane has a molecular weight of 436.28 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)silane is sourced from PubChem (CID 18927686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).