bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate

C11H24O5Si2 — CID 91696417

IUPACbis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate
SMILESCC(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O5Si2/c1-11(14,10(13)16-18(5,6)7)8-9(12)15-17(2,3)4/h14H,8H2,1-7H3
InChIKeyGVPLJBRRCBBZQZ-UHFFFAOYSA-N
MW292.48 g/mol
LogP1.88
Rot. Bonds5

About bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate

bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate (PubChem CID 91696417) has the molecular formula C11H24O5Si2 and a molecular weight of 292.48 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate
PubChem CID91696417
Molecular FormulaC11H24O5Si2
Molecular Weight292.48 g/mol
Exact Mass292.12
IUPAC Namebis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate
SMILESCC(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O5Si2/c1-11(14,10(13)16-18(5,6)7)8-9(12)15-17(2,3)4/h14H,8H2,1-7H3
InChIKeyGVPLJBRRCBBZQZ-UHFFFAOYSA-N
XLogP1.88
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Deoxy-3-C-methyltetraric acid, TMS
CID 523329
Citramalic acid, TMS
CID 526005
Citric Acid, tris(trimethylsilyl) ester
CID 91696760
Citramalic acid, 3TBDMS derivative
CID 91745249
Bis(trimethylsilyl) 2-hydroxybutanedioate
CID 14048536
1,4aDitrimethylsilyl (2R,3S)a2ahydroxya3a[(trimethylsilyl)oxy]butanedioate
CID 165362176
bis(Trimethylsilyl) (2R,3R)-2-hydroxy-3-[(trimethylsilyl)oxy]butanedioate
CID 91696649
2,3-Bis(trimethylsilyloxy)butanedioic acid
CID 19042573
2-Trimethylsilyloxypropane-1,2,3-tricarboxylic acid
CID 57446920
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid
CID 87149711
2-[Tert-butyl(dimethyl)silyl]oxybutanedioic acid
CID 87697618
(2S,3S)-2,3-bis(trimethylsilyloxy)butanedioic acid
CID 88188425

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate?
The IUPAC name of bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate (CID 91696417) is bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate is CC(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate?
The InChIKey is GVPLJBRRCBBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5Si2/c1-11(14,10(13)16-18(5,6)7)8-9(12)15-17(2,3)4/h14H,8H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate?
bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate has a molecular weight of 292.48 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-hydroxy-2-methylbutanedioate is sourced from PubChem (CID 91696417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).