4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid

C16H39NO6Si4 — CID 59172342

IUPAC4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCNC(=O)CCC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C16H39NO6Si4/c1-24(2,3)21-26(7,8)23-27(9,22-25(4,5)6)14-10-13-17-15(18)11-12-16(19)20/h10-14H2,1-9H3,(H,17,18)(H,19,20)
InChIKeyJXFZZCBNCNJSLR-UHFFFAOYSA-N
MW453.83 g/mol
LogP3.85
Rot. Bonds13

About 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid

4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid (PubChem CID 59172342) has the molecular formula C16H39NO6Si4 and a molecular weight of 453.83 g/mol. Its IUPAC name is 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid
PubChem CID59172342
Molecular FormulaC16H39NO6Si4
Molecular Weight453.83 g/mol
Exact Mass453.19
IUPAC Name4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCNC(=O)CCC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C16H39NO6Si4/c1-24(2,3)21-26(7,8)23-27(9,22-25(4,5)6)14-10-13-17-15(18)11-12-16(19)20/h10-14H2,1-9H3,(H,17,18)(H,19,20)
InChIKeyJXFZZCBNCNJSLR-UHFFFAOYSA-N
XLogP3.85
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.83
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[3-(3-carboxypropanoylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobutanoic acid
CID 170942066
3-[[3-(carbamoylamino)propyl-[3-(carbamoylamino)propyl-[[[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propylurea
CID 154593866
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
2-chloroacetyl chloride;2-chloro-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]acetamide;methane;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine
CID 159311794
5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate
CID 20588934
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
dimethyl-[6-oxo-6-[3-tris(trimethylsilyloxy)silylpropylamino]hexyl]azanium
CID 167366189
11-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
CID 102202619
butyl-bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilane
CID 20825042
[dimethyl(trimethylsilyloxy)silyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 58022647
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid (CID 59172342) is 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCNC(=O)CCC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid?
The InChIKey is JXFZZCBNCNJSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39NO6Si4/c1-24(2,3)21-26(7,8)23-27(9,22-25(4,5)6)14-10-13-17-15(18)11-12-16(19)20/h10-14H2,1-9H3,(H,17,18)(H,19,20).
What are the key properties of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid?
4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid has a molecular weight of 453.83 g/mol, XLogP of 3.85, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 59172342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).