trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane

C18H30F8O3Si4 — CID 165015237

About trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane

trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane (PubChem CID 165015237) has the molecular formula C18H30F8O3Si4 and a molecular weight of 558.76 g/mol. Its IUPAC name is trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane.

Molecular Properties

• Compound Name: trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane
• PubChem CID: 165015237
• Molecular Formula: C18H30F8O3Si4
• Molecular Weight: 558.76 g/mol
• Exact Mass: 558.11
• IUPAC Name: trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane
• SMILES: C[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(Cc1c(F)c(F)c(F)c(F)c1F)O[Si](C)(C)C
• InChI: InChI=1S/C18H30F8O3Si4/c1-30(2,3)27-32(7,10-9-18(24,25)26)29-33(8,28-31(4,5)6)11-12-13(19)15(21)17(23)16(22)14(12)20/h9-11H2,1-8H3
• InChIKey: KHTLPQFOIILRFL-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.76
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane?

The IUPAC name of trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane (CID 165015237) is trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane.

What is the SMILES notation for trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane?

The canonical SMILES for trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane is C[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(Cc1c(F)c(F)c(F)c(F)c1F)O[Si](C)(C)C.

What is the InChIKey of trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane?

The InChIKey is KHTLPQFOIILRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F8O3Si4/c1-30(2,3)27-32(7,10-9-18(24,25)26)29-33(8,28-31(4,5)6)11-12-13(19)15(21)17(23)16(22)14(12)20/h9-11H2,1-8H3.

What are the key properties of trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane?

trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane has a molecular weight of 558.76 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[methyl-[methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]-trimethylsilyloxysilyl]oxy-(3,3,3-trifluoropropyl)silyl]oxysilane is sourced from PubChem (CID 165015237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).