3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane

C25H37F17O9Si — CID 22561493

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane
SMILESCOCCOCCO[Si](OCCOCCOC)(OCCOCCOC)C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C25H37F17O9Si/c1-17(18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42)52(49-14-11-46-8-5-43-2,50-15-12-47-9-6-44-3)51-16-13-48-10-7-45-4/h17H,5-16H2,1-4H3
InChIKeyFOGPDQLGAPSHOL-UHFFFAOYSA-N
MW832.61 g/mol
LogP6.36
Rot. Bonds29

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane (PubChem CID 22561493) has the molecular formula C25H37F17O9Si and a molecular weight of 832.61 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane
PubChem CID22561493
Molecular FormulaC25H37F17O9Si
Molecular Weight832.61 g/mol
Exact Mass832.19
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane
SMILESCOCCOCCO[Si](OCCOCCOC)(OCCOCCOC)C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C25H37F17O9Si/c1-17(18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42)52(49-14-11-46-8-5-43-2,50-15-12-47-9-6-44-3)51-16-13-48-10-7-45-4/h17H,5-16H2,1-4H3
InChIKeyFOGPDQLGAPSHOL-UHFFFAOYSA-N
XLogP6.36
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.61
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane (CID 22561493) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane is COCCOCCO[Si](OCCOCCOC)(OCCOCCOC)C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane?
The InChIKey is FOGPDQLGAPSHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F17O9Si/c1-17(18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42)52(49-14-11-46-8-5-43-2,50-15-12-47-9-6-44-3)51-16-13-48-10-7-45-4/h17H,5-16H2,1-4H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane has a molecular weight of 832.61 g/mol, XLogP of 6.36, 29 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-tris[2-(2-methoxyethoxy)ethoxy]silane is sourced from PubChem (CID 22561493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).