trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane

C15H16F18O3Si — CID 54195481

About trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane

trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane (PubChem CID 54195481) has the molecular formula C15H16F18O3Si and a molecular weight of 614.34 g/mol. Its IUPAC name is trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane.

Molecular Properties

• Compound Name: trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane
• PubChem CID: 54195481
• Molecular Formula: C15H16F18O3Si
• Molecular Weight: 614.34 g/mol
• Exact Mass: 614.06
• IUPAC Name: trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane
• SMILES: CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OC)OC
• InChI: InChI=1S/C15H16F18O3Si/c1-7(16,17)9(20,21)11(24,25)13(28,29)15(32,33)14(30,31)12(26,27)10(22,23)8(18,19)5-6-37(34-2,35-3)36-4/h5-6H2,1-4H3
• InChIKey: QTOXYYXHOUXCII-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.34
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane?

The IUPAC name of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane (CID 54195481) is trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane.

What is the SMILES notation for trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane?

The canonical SMILES for trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane is CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OC)OC.

What is the InChIKey of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane?

The InChIKey is QTOXYYXHOUXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F18O3Si/c1-7(16,17)9(20,21)11(24,25)13(28,29)15(32,33)14(30,31)12(26,27)10(22,23)8(18,19)5-6-37(34-2,35-3)36-4/h5-6H2,1-4H3.

What are the key properties of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane?

trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane has a molecular weight of 614.34 g/mol, XLogP of 6.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane is sourced from PubChem (CID 54195481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).