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

C26H41F15O10Si — CID 162396630

IUPACtris[2-(2-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCOCCOCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C26H41F15O10Si/c1-42-6-9-45-12-15-49-52(50-16-13-46-10-7-43-2,51-17-14-47-11-8-44-3)18-4-5-48-19-20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-19H2,1-3H3
InChIKeyZNSKRWKGYGQYOM-UHFFFAOYSA-N
MW826.66 g/mol
LogP5.74
Rot. Bonds32

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

tris[2-(2-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (PubChem CID 162396630) has the molecular formula C26H41F15O10Si and a molecular weight of 826.66 g/mol. Its IUPAC name is tris[2-(2-methoxyethoxy)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-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
PubChem CID162396630
Molecular FormulaC26H41F15O10Si
Molecular Weight826.66 g/mol
Exact Mass826.22
IUPAC Nametris[2-(2-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCOCCOCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C26H41F15O10Si/c1-42-6-9-45-12-15-49-52(50-16-13-46-10-7-43-2,51-17-14-47-11-8-44-3)18-4-5-48-19-20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-19H2,1-3H3
InChIKeyZNSKRWKGYGQYOM-UHFFFAOYSA-N
XLogP5.74
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.66
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-methoxyethoxy)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-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (CID 162396630) is tris[2-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is COCCOCCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCOCCOC)OCCOCCOC.
What is the InChIKey of tris[2-(2-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The InChIKey is ZNSKRWKGYGQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41F15O10Si/c1-42-6-9-45-12-15-49-52(50-16-13-46-10-7-43-2,51-17-14-47-11-8-44-3)18-4-5-48-19-20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-19H2,1-3H3.
What are the key properties of tris[2-(2-methoxyethoxy)ethoxy]-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
tris[2-(2-methoxyethoxy)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 826.66 g/mol, XLogP of 5.74, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2-methoxyethoxy)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 162396630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).