[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane

C21H35F9O4Si4 — CID 58112817

About [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane

[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane (PubChem CID 58112817) has the molecular formula C21H35F9O4Si4 and a molecular weight of 634.83 g/mol. Its IUPAC name is [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane.

Molecular Properties

• Compound Name: [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane
• PubChem CID: 58112817
• Molecular Formula: C21H35F9O4Si4
• Molecular Weight: 634.83 g/mol
• Exact Mass: 634.15
• IUPAC Name: [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane
• SMILES: C[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCC(F)(OC(F)(F)CC(F)(F)F)C(F)(F)F)c1ccccc1
• InChI: InChI=1S/C21H35F9O4Si4/c1-35(2,3)32-38(8,17-12-10-9-11-13-17)34-37(6,7)33-36(4,5)15-14-18(22,21(28,29)30)31-20(26,27)16-19(23,24)25/h9-13H,14-16H2,1-8H3
• InChIKey: GIKGXXLJBUFZTR-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.83
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane?

The IUPAC name of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane (CID 58112817) is [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane.

What is the SMILES notation for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane?

The canonical SMILES for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane is C[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCC(F)(OC(F)(F)CC(F)(F)F)C(F)(F)F)c1ccccc1.

What is the InChIKey of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane?

The InChIKey is GIKGXXLJBUFZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F9O4Si4/c1-35(2,3)32-38(8,17-12-10-9-11-13-17)34-37(6,7)33-36(4,5)15-14-18(22,21(28,29)30)31-20(26,27)16-19(23,24)25/h9-13H,14-16H2,1-8H3.

What are the key properties of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane?

[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane has a molecular weight of 634.83 g/mol, XLogP of 7.94, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane is sourced from PubChem (CID 58112817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).