trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate

C17H42O5Si4 — CID 523325

IUPACtrimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate
SMILESC[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-17(22-26(11,12)13,16(18)21-25(8,9)10)15(20-24(5,6)7)14-19-23(2,3)4/h15H,14H2,1-13H3/t15-,17+/m1/s1
InChIKeyUZLWHXGOWNGVDE-WBVHZDCISA-N
MW438.86 g/mol
LogP5.05
Rot. Bonds10

About trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate

trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate (PubChem CID 523325) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate
PubChem CID523325
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Nametrimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate
SMILESC[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-17(22-26(11,12)13,16(18)21-25(8,9)10)15(20-24(5,6)7)14-19-23(2,3)4/h15H,14H2,1-13H3/t15-,17+/m1/s1
InChIKeyUZLWHXGOWNGVDE-WBVHZDCISA-N
XLogP5.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.86
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
2-Deoxy-3-C-methyltetraric acid, TMS
CID 523329
Erythraric acid, TMS
CID 523397
Citramalic acid, TMS
CID 526005
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639
Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]butanoate
CID 528646

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate?
The IUPAC name of trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate (CID 523325) is trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate.
What is the SMILES notation for trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate?
The canonical SMILES for trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate is C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate?
The InChIKey is UZLWHXGOWNGVDE-WBVHZDCISA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-17(22-26(11,12)13,16(18)21-25(8,9)10)15(20-24(5,6)7)14-19-23(2,3)4/h15H,14H2,1-13H3/t15-,17+/m1/s1.
What are the key properties of trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate?
trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate has a molecular weight of 438.86 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3R)-2-methyl-2,3,4-tris(trimethylsilyloxy)butanoate is sourced from PubChem (CID 523325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).