triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane

C20H35F13O6Si2 — CID 159939837

About triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane

triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane (PubChem CID 159939837) has the molecular formula C20H35F13O6Si2 and a molecular weight of 674.64 g/mol. Its IUPAC name is triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

• Compound Name: triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
• PubChem CID: 159939837
• Molecular Formula: C20H35F13O6Si2
• Molecular Weight: 674.64 g/mol
• Exact Mass: 674.18
• IUPAC Name: triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
• SMILES: CCO[SiH](OCC)OCC.CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
• InChI: InChI=1S/C14H19F13O3Si.C6H16O3Si/c1-4-28-31(29-5-2,30-6-3)14(26,27)13(24,25)12(22,23)11(20,21)9(15,16)7-8-10(17,18)19;1-4-7-10(8-5-2)9-6-3/h4-8H2,1-3H3;10H,4-6H2,1-3H3
• InChIKey: OASSEWBJCHRDKI-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.64
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?

The IUPAC name of triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane (CID 159939837) is triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane.

What is the SMILES notation for triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?

The canonical SMILES for triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane is CCO[SiH](OCC)OCC.CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.

What is the InChIKey of triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?

The InChIKey is OASSEWBJCHRDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F13O3Si.C6H16O3Si/c1-4-28-31(29-5-2,30-6-3)14(26,27)13(24,25)12(22,23)11(20,21)9(15,16)7-8-10(17,18)19;1-4-7-10(8-5-2)9-6-3/h4-8H2,1-3H3;10H,4-6H2,1-3H3.

What are the key properties of triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?

triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane has a molecular weight of 674.64 g/mol, XLogP of 6.91, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 159939837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).