2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C8H9F15O4Si4 — CID 58225542

IUPAC2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C(F)(F)F)O[Si](C(F)(F)F)(C(F)(F)F)O[Si](C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H9F15O4Si4/c1-28(2)24-29(3,4(9,10)11)26-31(7(18,19)20,8(21,22)23)27-30(25-28,5(12,13)14)6(15,16)17/h1-3H3
InChIKeyAAHOJGVMTGGDEQ-UHFFFAOYSA-N
MW566.47 g/mol
LogP5.23
Rot. Bonds

About 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 58225542) has the molecular formula C8H9F15O4Si4 and a molecular weight of 566.47 g/mol. Its IUPAC name is 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID58225542
Molecular FormulaC8H9F15O4Si4
Molecular Weight566.47 g/mol
Exact Mass565.93
IUPAC Name2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C(F)(F)F)O[Si](C(F)(F)F)(C(F)(F)F)O[Si](C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H9F15O4Si4/c1-28(2)24-29(3,4(9,10)11)26-31(7(18,19)20,8(21,22)23)27-30(25-28,5(12,13)14)6(15,16)17/h1-3H3
InChIKeyAAHOJGVMTGGDEQ-UHFFFAOYSA-N
XLogP5.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 58225542) is 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(C(F)(F)F)O[Si](C(F)(F)F)(C(F)(F)F)O[Si](C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is AAHOJGVMTGGDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F15O4Si4/c1-28(2)24-29(3,4(9,10)11)26-31(7(18,19)20,8(21,22)23)27-30(25-28,5(12,13)14)6(15,16)17/h1-3H3.
What are the key properties of 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 566.47 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4,6,6,8,8-pentakis(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 58225542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).