bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate

C23H50O5Si3 — CID 91745249

IUPACbis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-20(2,3)29(11,12)26-18(24)17-23(10,28-31(15,16)22(7,8)9)19(25)27-30(13,14)21(4,5)6/h17H2,1-16H3
InChIKeyPOFABCSPTUXDJQ-UHFFFAOYSA-N
MW490.91 g/mol
LogP7.25
Rot. Bonds7

About bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate

bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate (PubChem CID 91745249) has the molecular formula C23H50O5Si3 and a molecular weight of 490.91 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate
PubChem CID91745249
Molecular FormulaC23H50O5Si3
Molecular Weight490.91 g/mol
Exact Mass490.30
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-20(2,3)29(11,12)26-18(24)17-23(10,28-31(15,16)22(7,8)9)19(25)27-30(13,14)21(4,5)6/h17H2,1-16H3
InChIKeyPOFABCSPTUXDJQ-UHFFFAOYSA-N
XLogP7.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 57.25
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

Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
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
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
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
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

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate (CID 91745249) is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate is CC(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate?
The InChIKey is POFABCSPTUXDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O5Si3/c1-20(2,3)29(11,12)26-18(24)17-23(10,28-31(15,16)22(7,8)9)19(25)27-30(13,14)21(4,5)6/h17H2,1-16H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate?
bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate has a molecular weight of 490.91 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanedioate is sourced from PubChem (CID 91745249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).