trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

C14H17F15O4Si — CID 19737008

About trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (PubChem CID 19737008) has the molecular formula C14H17F15O4Si and a molecular weight of 562.34 g/mol. Its IUPAC name is trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.

Molecular Properties

• Compound Name: trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
• PubChem CID: 19737008
• Molecular Formula: C14H17F15O4Si
• Molecular Weight: 562.34 g/mol
• Exact Mass: 562.07
• IUPAC Name: trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
• SMILES: CCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](OC)(OC)OC
• InChI: InChI=1S/C14H17F15O4Si/c1-5-7(34(30-2,31-3)32-4)33-6-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h7H,5-6H2,1-4H3
• InChIKey: GQYQVGVXSVHLRQ-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.34
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?

The IUPAC name of trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (CID 19737008) is trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.

What is the SMILES notation for trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?

The canonical SMILES for trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is CCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](OC)(OC)OC.

What is the InChIKey of trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?

The InChIKey is GQYQVGVXSVHLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F15O4Si/c1-5-7(34(30-2,31-3)32-4)33-6-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h7H,5-6H2,1-4H3.

What are the key properties of trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?

trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane has a molecular weight of 562.34 g/mol, XLogP of 5.57, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is sourced from PubChem (CID 19737008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).