bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate

C14H32O5Si3 — CID 523329

IUPACbis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate
SMILESC[C@](CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-14(19-22(8,9)10,13(16)18-21(5,6)7)11-12(15)17-20(2,3)4/h11H2,1-10H3/t14-/m1/s1
InChIKeyPQUDIQABDWAPQW-CQSZACIVSA-N
MW364.66 g/mol
LogP3.74
Rot. Bonds7

About bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate

bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate (PubChem CID 523329) has the molecular formula C14H32O5Si3 and a molecular weight of 364.66 g/mol. Its IUPAC name is bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate
PubChem CID523329
Molecular FormulaC14H32O5Si3
Molecular Weight364.66 g/mol
Exact Mass364.16
IUPAC Namebis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate
SMILESC[C@](CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-14(19-22(8,9)10,13(16)18-21(5,6)7)11-12(15)17-20(2,3)4/h11H2,1-10H3/t14-/m1/s1
InChIKeyPQUDIQABDWAPQW-CQSZACIVSA-N
XLogP3.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.74
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

Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
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
D-(-)-Citramalic acid, 2TMS derivative
CID 91696417
Citramalic acid, 3TBDMS derivative
CID 91745249
bis(trimethylsilyl) (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
CID 91746749
2-C-Methylerythronic acid, tris-TMS
CID 523325
2-Deoxy-3-C-(hydroxymethyl)tetraric acid, TMS
CID 523328
C-(2-Hydroxyethyl)glyceraric acid, TMS
CID 523389
C-Ethylglyceraric acid, TMS
CID 523392

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate?
The IUPAC name of bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate (CID 523329) is bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate?
The canonical SMILES for bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate is C[C@](CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate?
The InChIKey is PQUDIQABDWAPQW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H32O5Si3/c1-14(19-22(8,9)10,13(16)18-21(5,6)7)11-12(15)17-20(2,3)4/h11H2,1-10H3/t14-/m1/s1.
What are the key properties of bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate?
bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate has a molecular weight of 364.66 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 523329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).