4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide

C20H40F3NO7SSi5 — CID 159902671

IUPAC4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide
SMILESC[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(C(=O)NS(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C
InChIInChI=1S/C20H40F3NO7SSi5/c1-33(28-36(8,9)30-34(2,3)4)29-37(10,31-35(5,6)7)16-15-17-11-13-18(14-12-17)19(25)24-32(26,27)20(21,22)23/h11-14,33H,15-16H2,1-10H3,(H,24,25)
InChIKeyUAHZMKUDLYLGJB-UHFFFAOYSA-N
MW636.03 g/mol
LogP5.17
Rot. Bonds13

About 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide

4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 159902671) has the molecular formula C20H40F3NO7SSi5 and a molecular weight of 636.03 g/mol. Its IUPAC name is 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide
PubChem CID159902671
Molecular FormulaC20H40F3NO7SSi5
Molecular Weight636.03 g/mol
Exact Mass635.13
IUPAC Name4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide
SMILESC[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(C(=O)NS(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C
InChIInChI=1S/C20H40F3NO7SSi5/c1-33(28-36(8,9)30-34(2,3)4)29-37(10,31-35(5,6)7)16-15-17-11-13-18(14-12-17)19(25)24-32(26,27)20(21,22)23/h11-14,33H,15-16H2,1-10H3,(H,24,25)
InChIKeyUAHZMKUDLYLGJB-UHFFFAOYSA-N
XLogP5.17
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.03
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide (CID 159902671) is 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide is C[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(C(=O)NS(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C.
What is the InChIKey of 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is UAHZMKUDLYLGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40F3NO7SSi5/c1-33(28-36(8,9)30-34(2,3)4)29-37(10,31-35(5,6)7)16-15-17-11-13-18(14-12-17)19(25)24-32(26,27)20(21,22)23/h11-14,33H,15-16H2,1-10H3,(H,24,25).
What are the key properties of 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide?
4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 636.03 g/mol, XLogP of 5.17, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 159902671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).