diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane

C17H25F13O3Si — CID 175041903

About diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane

diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane (PubChem CID 175041903) has the molecular formula C17H25F13O3Si and a molecular weight of 552.44 g/mol. Its IUPAC name is diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane.

Molecular Properties

• Compound Name: diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane
• PubChem CID: 175041903
• Molecular Formula: C17H25F13O3Si
• Molecular Weight: 552.44 g/mol
• Exact Mass: 552.14
• IUPAC Name: diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane
• SMILES: CCO[Si](C)(OCC)OC(C)(C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
• InChI: InChI=1S/C17H25F13O3Si/c1-6-31-34(5,32-7-2)33-11(3,4)10-13(20,21)16(27,28)17(29,30)15(25,26)12(18,19)8-9-14(22,23)24/h6-10H2,1-5H3
• InChIKey: ZELARHJAOLXMPQ-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.44
LogP ≤ 5	7.33
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 diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?

The IUPAC name of diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane (CID 175041903) is diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane.

What is the SMILES notation for diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?

The canonical SMILES for diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane is CCO[Si](C)(OCC)OC(C)(C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.

What is the InChIKey of diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?

The InChIKey is ZELARHJAOLXMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F13O3Si/c1-6-31-34(5,32-7-2)33-11(3,4)10-13(20,21)16(27,28)17(29,30)15(25,26)12(18,19)8-9-14(22,23)24/h6-10H2,1-5H3.

What are the key properties of diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?

diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane has a molecular weight of 552.44 g/mol, XLogP of 7.33, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane is sourced from PubChem (CID 175041903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).