triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane

C22H38F10O5Si — CID 131749091

About triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane

triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane (PubChem CID 131749091) has the molecular formula C22H38F10O5Si and a molecular weight of 600.61 g/mol. Its IUPAC name is triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane.

Molecular Properties

• Compound Name: triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane
• PubChem CID: 131749091
• Molecular Formula: C22H38F10O5Si
• Molecular Weight: 600.61 g/mol
• Exact Mass: 600.23
• IUPAC Name: triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane
• SMILES: CCO[Si](CCCCCCCCCCCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
• InChI: InChI=1S/C22H38F10O5Si/c1-4-34-38(35-5-2,36-6-3)17-15-13-11-9-7-8-10-12-14-16-33-19(24,25)18(23)37-22(31,32)20(26,27)21(28,29)30/h18H,4-17H2,1-3H3
• InChIKey: HXKKGZHVWOSWEG-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 23
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.61
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane?

The IUPAC name of triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane (CID 131749091) is triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane.

What is the SMILES notation for triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane?

The canonical SMILES for triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane is CCO[Si](CCCCCCCCCCCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.

What is the InChIKey of triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane?

The InChIKey is HXKKGZHVWOSWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F10O5Si/c1-4-34-38(35-5-2,36-6-3)17-15-13-11-9-7-8-10-12-14-16-33-19(24,25)18(23)37-22(31,32)20(26,27)21(28,29)30/h18H,4-17H2,1-3H3.

What are the key properties of triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane?

triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane has a molecular weight of 600.61 g/mol, XLogP of 8.26, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy-[11-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]undecyl]silane is sourced from PubChem (CID 131749091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).