trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane

C11H11F15OSi — CID 14943865

IUPACtrimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane
SMILESC[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F15OSi/c1-28(2,3)27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4H2,1-3H3
InChIKeyTWMMELCMVXMNAQ-UHFFFAOYSA-N
MW472.26 g/mol
LogP6.21
Rot. Bonds8

About trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane

trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane (PubChem CID 14943865) has the molecular formula C11H11F15OSi and a molecular weight of 472.26 g/mol. Its IUPAC name is trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane.

Molecular Properties

Compound Nametrimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane
PubChem CID14943865
Molecular FormulaC11H11F15OSi
Molecular Weight472.26 g/mol
Exact Mass472.03
IUPAC Nametrimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane
SMILESC[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F15OSi/c1-28(2,3)27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4H2,1-3H3
InChIKeyTWMMELCMVXMNAQ-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.26
LogP ≤ 56.21
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 trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane?
The IUPAC name of trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane (CID 14943865) is trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane.
What is the SMILES notation for trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane?
The canonical SMILES for trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane is C[Si](C)(C)OCC(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 trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane?
The InChIKey is TWMMELCMVXMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F15OSi/c1-28(2,3)27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4H2,1-3H3.
What are the key properties of trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane?
trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane has a molecular weight of 472.26 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)silane is sourced from PubChem (CID 14943865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).