methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane

C15H18F16OSi — CID 59112316

About methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane

methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane (PubChem CID 59112316) has the molecular formula C15H18F16OSi and a molecular weight of 546.36 g/mol. Its IUPAC name is methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane.

Molecular Properties

• Compound Name: methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane
• PubChem CID: 59112316
• Molecular Formula: C15H18F16OSi
• Molecular Weight: 546.36 g/mol
• Exact Mass: 546.09
• IUPAC Name: methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane
• SMILES: CCC[Si](CCC(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
• InChI: InChI=1S/C15H18F16OSi/c1-3-6-33(32-2,8-5-10(18,19)20)7-4-9(16,17)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)31/h3-8H2,1-2H3
• InChIKey: NRUDULHLOMOAAY-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.36
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane?

The IUPAC name of methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane (CID 59112316) is methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane.

What is the SMILES notation for methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane?

The canonical SMILES for methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane is CCC[Si](CCC(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.

What is the InChIKey of methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane?

The InChIKey is NRUDULHLOMOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F16OSi/c1-3-6-33(32-2,8-5-10(18,19)20)7-4-9(16,17)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)31/h3-8H2,1-2H3.

What are the key properties of methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane?

methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane has a molecular weight of 546.36 g/mol, XLogP of 8.07, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for methoxy-propyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 59112316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).