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

C16H38O6Si4 — CID 523393

IUPACbis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O6Si4/c1-23(2,3)19-13-16(22-26(10,11)12,14(17)20-24(4,5)6)15(18)21-25(7,8)9/h13H2,1-12H3
InChIKeyOZOKITZDNXYSQM-UHFFFAOYSA-N
MW438.82 g/mol
LogP4.18
Rot. Bonds9

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

bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate (PubChem CID 523393) has the molecular formula C16H38O6Si4 and a molecular weight of 438.82 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate
PubChem CID523393
Molecular FormulaC16H38O6Si4
Molecular Weight438.82 g/mol
Exact Mass438.17
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O6Si4/c1-23(2,3)19-13-16(22-26(10,11)12,14(17)20-24(4,5)6)15(18)21-25(7,8)9/h13H2,1-12H3
InChIKeyOZOKITZDNXYSQM-UHFFFAOYSA-N
XLogP4.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 54.18
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-[(trimethylsilyl)oxy]malonate
CID 520885
Glyceric acid tris-TMS
CID 520886
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
C-Methylglyceraric acid, TMS
CID 523395
Butanoic acid, 2,4-bis[(trimethylsilyl)oxy]-2-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 552774
Propanedioic acid, bis[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553797
Glycerate, TBDMS
CID 615637
trimethylsilyl (2S)-2,3-bis(trimethylsilyloxy)propanoate
CID 101586801

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate (CID 523393) is bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate is C[Si](C)(C)OCC(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-(trimethylsilyloxymethyl)propanedioate?
The InChIKey is OZOKITZDNXYSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O6Si4/c1-23(2,3)19-13-16(22-26(10,11)12,14(17)20-24(4,5)6)15(18)21-25(7,8)9/h13H2,1-12H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanedioate has a molecular weight of 438.82 g/mol, XLogP of 4.18, 9 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-(trimethylsilyloxymethyl)propanedioate is sourced from PubChem (CID 523393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).