2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane

C15H9F27O3Si3 — CID 141111448

IUPAC2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESC[Si]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C15H9F27O3Si3/c1-46(13(37,38)7(22,23)4(16,17)10(28,29)30)43-47(2,14(39,40)8(24,25)5(18,19)11(31,32)33)45-48(3,44-46)15(41,42)9(26,27)6(20,21)12(34,35)36/h1-3H3
InChIKeyCPSZZSLVIXXKJP-UHFFFAOYSA-N
MW834.44 g/mol
LogP9.29
Rot. Bonds9

About 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 141111448) has the molecular formula C15H9F27O3Si3 and a molecular weight of 834.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID141111448
Molecular FormulaC15H9F27O3Si3
Molecular Weight834.44 g/mol
Exact Mass833.94
IUPAC Name2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESC[Si]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C15H9F27O3Si3/c1-46(13(37,38)7(22,23)4(16,17)10(28,29)30)43-47(2,14(39,40)8(24,25)5(18,19)11(31,32)33)45-48(3,44-46)15(41,42)9(26,27)6(20,21)12(34,35)36/h1-3H3
InChIKeyCPSZZSLVIXXKJP-UHFFFAOYSA-N
XLogP9.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.44
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane (CID 141111448) is 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane is C[Si]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is CPSZZSLVIXXKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F27O3Si3/c1-46(13(37,38)7(22,23)4(16,17)10(28,29)30)43-47(2,14(39,40)8(24,25)5(18,19)11(31,32)33)45-48(3,44-46)15(41,42)9(26,27)6(20,21)12(34,35)36/h1-3H3.
What are the key properties of 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 834.44 g/mol, XLogP of 9.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2,4,6-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 141111448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).