bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate

C17H40O6Si4 — CID 523389

IUPACbis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate
SMILESC[Si](C)(C)OCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14-13-17(23-27(10,11)12,15(18)21-25(4,5)6)16(19)22-26(7,8)9/h13-14H2,1-12H3
InChIKeyOJAADPIERSGLBB-UHFFFAOYSA-N
MW452.85 g/mol
LogP4.57
Rot. Bonds10

About bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate

bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate (PubChem CID 523389) has the molecular formula C17H40O6Si4 and a molecular weight of 452.85 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate
PubChem CID523389
Molecular FormulaC17H40O6Si4
Molecular Weight452.85 g/mol
Exact Mass452.19
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate
SMILESC[Si](C)(C)OCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14-13-17(23-27(10,11)12,15(18)21-25(4,5)6)16(19)22-26(7,8)9/h13-14H2,1-12H3
InChIKeyOJAADPIERSGLBB-UHFFFAOYSA-N
XLogP4.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.85
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
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
Threonic acid, tetrakis-TMS
CID 528672
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
Citramalic acid, 3TBDMS derivative
CID 91745249
bis(trimethylsilyl) (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
CID 91746749

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate (CID 523389) is bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate is C[Si](C)(C)OCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate?
The InChIKey is OJAADPIERSGLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O6Si4/c1-24(2,3)20-14-13-17(23-27(10,11)12,15(18)21-25(4,5)6)16(19)22-26(7,8)9/h13-14H2,1-12H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate has a molecular weight of 452.85 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(2-trimethylsilyloxyethyl)propanedioate is sourced from PubChem (CID 523389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).