tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

C32H53F15O13Si — CID 162396566

IUPACtris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCOCCOCCOCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCOCCOCCOC)OCCOCCOCCOC
InChIInChI=1S/C32H53F15O13Si/c1-48-6-9-51-12-15-54-18-21-58-61(59-22-19-55-16-13-52-10-7-49-2,60-23-20-56-17-14-53-11-8-50-3)24-4-5-57-25-26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)47/h4-25H2,1-3H3
InChIKeyOOEUAAUNUIPQFV-UHFFFAOYSA-N
MW958.82 g/mol
LogP5.79
Rot. Bonds41

About tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (PubChem CID 162396566) has the molecular formula C32H53F15O13Si and a molecular weight of 958.82 g/mol. Its IUPAC name is tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.

Molecular Properties

Compound Nametris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
PubChem CID162396566
Molecular FormulaC32H53F15O13Si
Molecular Weight958.82 g/mol
Exact Mass958.30
IUPAC Nametris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCOCCOCCOCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCOCCOCCOC)OCCOCCOCCOC
InChIInChI=1S/C32H53F15O13Si/c1-48-6-9-51-12-15-54-18-21-58-61(59-22-19-55-16-13-52-10-7-49-2,60-23-20-56-17-14-53-11-8-50-3)24-4-5-57-25-26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)47/h4-25H2,1-3H3
InChIKeyOOEUAAUNUIPQFV-UHFFFAOYSA-N
XLogP5.79
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds41
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500958.82
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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'}

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Frequently Asked Questions

What is the IUPAC name of tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The IUPAC name of tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (CID 162396566) is tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.
What is the SMILES notation for tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The canonical SMILES for tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is COCCOCCOCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCOCCOCCOC)OCCOCCOCCOC.
What is the InChIKey of tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The InChIKey is OOEUAAUNUIPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53F15O13Si/c1-48-6-9-51-12-15-54-18-21-58-61(59-22-19-55-16-13-52-10-7-49-2,60-23-20-56-17-14-53-11-8-50-3)24-4-5-57-25-26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)47/h4-25H2,1-3H3.
What are the key properties of tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane has a molecular weight of 958.82 g/mol, XLogP of 5.79, 41 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is sourced from PubChem (CID 162396566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).