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

C25H51F3NO10S2Si5- — CID 153300671

IUPAC[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCOCCOCCC[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
InChIInChI=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
InChIKeyXPBFDOUTNRXAKE-UHFFFAOYSA-N
MW787.24 g/mol
LogP6.78
Rot. Bonds21

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 CID153300671
Molecular FormulaC25H51F3NO10S2Si5-
Molecular Weight787.24 g/mol
Exact Mass786.18
IUPAC Name[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCOCCOCCC[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
InChIInChI=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
InChIKeyXPBFDOUTNRXAKE-UHFFFAOYSA-N
XLogP6.78
TPSA137.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.24
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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).