bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate

C13H30O6Si3 — CID 91696649

IUPACbis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate
SMILESC[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O6Si3/c1-20(2,3)17-11(13(16)19-22(7,8)9)10(14)12(15)18-21(4,5)6/h10-11,14H,1-9H3
InChIKeyNMHQPUCIWWSJKM-UHFFFAOYSA-N
MW366.64 g/mol
LogP2.32
Rot. Bonds7

About bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate

bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate (PubChem CID 91696649) has the molecular formula C13H30O6Si3 and a molecular weight of 366.64 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate
PubChem CID91696649
Molecular FormulaC13H30O6Si3
Molecular Weight366.64 g/mol
Exact Mass366.14
IUPAC Namebis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate
SMILESC[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O6Si3/c1-20(2,3)17-11(13(16)19-22(7,8)9)10(14)12(15)18-21(4,5)6/h10-11,14H,1-9H3
InChIKeyNMHQPUCIWWSJKM-UHFFFAOYSA-N
XLogP2.32
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584147
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24823711
3,4-Bis-[(tms)oxy]butanoic acid
CID 87627564
Butanedioic acid;butane-1,4-diol;2-hydroxybutanedioic acid;2-hydroxypropanoic acid
CID 161620380
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
Erythraric acid, TMS
CID 523397
D-(-)-Citramalic acid, 2TMS derivative
CID 91696417
4-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)succinate
CID 91696660
Glyceric acid, diTMS
CID 6430478
bis(trimethylsilyl) (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
CID 91746749
Dimethyl tartarate (R*,R*)-, 2TMS derivative
CID 552615
Bis(trimethylsilyl) 2-hydroxybutanedioate
CID 14048536

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate?
The IUPAC name of bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate (CID 91696649) is bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate is C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate?
The InChIKey is NMHQPUCIWWSJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O6Si3/c1-20(2,3)17-11(13(16)19-22(7,8)9)10(14)12(15)18-21(4,5)6/h10-11,14H,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate?
bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate has a molecular weight of 366.64 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-hydroxy-3-trimethylsilyloxybutanedioate is sourced from PubChem (CID 91696649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).