2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C14H24F18O7Si7 — CID 159409910

IUPAC2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.FC(F)(F)[Si]1(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/C8H24O4Si4.C6F18O3Si3/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;7-1(8,9)28(2(10,11)12)25-29(3(13,14)15,4(16,17)18)27-30(26-28,5(19,20)21)6(22,23)24/h1-8H3;
InChIKeyLOLIMFVACWUGQZ-UHFFFAOYSA-N
MW842.90 g/mol
LogP7.86
Rot. Bonds

About 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 159409910) has the molecular formula C14H24F18O7Si7 and a molecular weight of 842.90 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID159409910
Molecular FormulaC14H24F18O7Si7
Molecular Weight842.90 g/mol
Exact Mass841.96
IUPAC Name2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.FC(F)(F)[Si]1(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/C8H24O4Si4.C6F18O3Si3/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;7-1(8,9)28(2(10,11)12)25-29(3(13,14)15,4(16,17)18)27-30(26-28,5(19,20)21)6(22,23)24/h1-8H3;
InChIKeyLOLIMFVACWUGQZ-UHFFFAOYSA-N
XLogP7.86
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.90
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 159409910) is 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.FC(F)(F)[Si]1(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 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is LOLIMFVACWUGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H24O4Si4.C6F18O3Si3/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;7-1(8,9)28(2(10,11)12)25-29(3(13,14)15,4(16,17)18)27-30(26-28,5(19,20)21)6(22,23)24/h1-8H3;.
What are the key properties of 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 842.90 g/mol, XLogP of 7.86, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexakis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 159409910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).