dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C20H20F26OSi2 — CID 123504610

About dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 123504610) has the molecular formula C20H20F26OSi2 and a molecular weight of 826.50 g/mol. Its IUPAC name is dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

• Compound Name: dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• PubChem CID: 123504610
• Molecular Formula: C20H20F26OSi2
• Molecular Weight: 826.50 g/mol
• Exact Mass: 826.06
• IUPAC Name: dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• SMILES: C[SiH](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C20H20F26OSi2/c1-48(7-4-5-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)47-49(2,3)8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h48H,4-8H2,1-3H3
• InChIKey: WKUUULPZIJOTMF-UHFFFAOYSA-N
• XLogP: 11.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 17
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.50
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

The IUPAC name of dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 123504610) is dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

What is the SMILES notation for dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

The canonical SMILES for dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is C[SiH](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

The InChIKey is WKUUULPZIJOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F26OSi2/c1-48(7-4-5-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)47-49(2,3)8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h48H,4-8H2,1-3H3.

What are the key properties of dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 826.50 g/mol, XLogP of 11.21, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[methyl(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 123504610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).