trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane

C15H17F17O6Si — CID 159863300

About trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane

trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane (PubChem CID 159863300) has the molecular formula C15H17F17O6Si and a molecular weight of 644.35 g/mol. Its IUPAC name is trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane.

Molecular Properties

• Compound Name: trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane
• PubChem CID: 159863300
• Molecular Formula: C15H17F17O6Si
• Molecular Weight: 644.35 g/mol
• Exact Mass: 644.05
• IUPAC Name: trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane
• SMILES: CO[Si](CCCOCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)(OC)OC
• InChI: InChI=1S/C15H17F17O6Si/c1-33-39(34-2,35-3)6-4-5-36-7-8(16,17)12(25,26)37-14(29,30)10(20,21)15(31,32)38-13(27,28)9(18,19)11(22,23)24/h4-7H2,1-3H3
• InChIKey: NRKNWYFSZSTDNQ-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.35
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane?

The IUPAC name of trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane (CID 159863300) is trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane.

What is the SMILES notation for trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane?

The canonical SMILES for trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane is CO[Si](CCCOCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)(OC)OC.

What is the InChIKey of trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane?

The InChIKey is NRKNWYFSZSTDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F17O6Si/c1-33-39(34-2,35-3)6-4-5-36-7-8(16,17)12(25,26)37-14(29,30)10(20,21)15(31,32)38-13(27,28)9(18,19)11(22,23)24/h4-7H2,1-3H3.

What are the key properties of trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane?

trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane has a molecular weight of 644.35 g/mol, XLogP of 6.14, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane is sourced from PubChem (CID 159863300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).