[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C25H51F3NO10S2Si5- — CID 153300671

About [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 153300671) has the molecular formula C25H51F3NO10S2Si5- and a molecular weight of 787.24 g/mol. Its IUPAC name is [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

• Compound Name: [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
• PubChem CID: 153300671
• Molecular Formula: C25H51F3NO10S2Si5-
• Molecular Weight: 787.24 g/mol
• Exact Mass: 786.18
• IUPAC Name: [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
• SMILES: COCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C
• InChI: InChI=1S/C25H51F3NO10S2Si5/c1-34-19-20-35-18-12-21-45(10,38-44(8,9)36-42(2,3)4)39-46(11,37-43(5,6)7)22-17-23-13-15-24(16-14-23)40(30,31)29-41(32,33)25(26,27)28/h13-16H,12,17-22H2,1-11H3/q-1
• InChIKey: XPBFDOUTNRXAKE-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 137.76 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.24
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The IUPAC name of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 153300671) is [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

What is the SMILES notation for [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The canonical SMILES for [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is COCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C.

What is the InChIKey of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The InChIKey is XPBFDOUTNRXAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51F3NO10S2Si5/c1-34-19-20-35-18-12-21-45(10,38-44(8,9)36-42(2,3)4)39-46(11,37-43(5,6)7)22-17-23-13-15-24(16-14-23)40(30,31)29-41(32,33)25(26,27)28/h13-16H,12,17-22H2,1-11H3/q-1.

What are the key properties of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 787.24 g/mol, XLogP of 6.78, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 153300671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).