5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane

C24H24F26OSi — CID 18615689

IUPAC5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)CCC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H24F26OSi/c1-9(25)13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)23(47,48)52(8-7-11(3,4)12(5,6)51-52)24(49,50)22(45,46)20(41,42)18(37,38)16(33,34)14(29,30)10(2)26/h9-10H,7-8H2,1-6H3
InChIKeyRADLIMRFCJPZLZ-UHFFFAOYSA-N
MW850.49 g/mol
LogP11.57
Rot. Bonds14

About 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane

5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane (PubChem CID 18615689) has the molecular formula C24H24F26OSi and a molecular weight of 850.49 g/mol. Its IUPAC name is 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane.

Molecular Properties

Compound Name5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane
PubChem CID18615689
Molecular FormulaC24H24F26OSi
Molecular Weight850.49 g/mol
Exact Mass850.12
IUPAC Name5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)CCC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H24F26OSi/c1-9(25)13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)23(47,48)52(8-7-11(3,4)12(5,6)51-52)24(49,50)22(45,46)20(41,42)18(37,38)16(33,34)14(29,30)10(2)26/h9-10H,7-8H2,1-6H3
InChIKeyRADLIMRFCJPZLZ-UHFFFAOYSA-N
XLogP11.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.49
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane?
The IUPAC name of 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane (CID 18615689) is 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane.
What is the SMILES notation for 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane?
The canonical SMILES for 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane is CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)CCC(C)(C)C(C)(C)O1.
What is the InChIKey of 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane?
The InChIKey is RADLIMRFCJPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F26OSi/c1-9(25)13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)23(47,48)52(8-7-11(3,4)12(5,6)51-52)24(49,50)22(45,46)20(41,42)18(37,38)16(33,34)14(29,30)10(2)26/h9-10H,7-8H2,1-6H3.
What are the key properties of 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane?
5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane has a molecular weight of 850.49 g/mol, XLogP of 11.57, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethyl-2,2-bis(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)oxasilinane is sourced from PubChem (CID 18615689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).