bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate

C14H32O5Si3 — CID 523392

IUPACbis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate
SMILESCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-11-14(19-22(8,9)10,12(15)17-20(2,3)4)13(16)18-21(5,6)7/h11H2,1-10H3
InChIKeyBJHVLSPOKCHFGC-UHFFFAOYSA-N
MW364.66 g/mol
LogP3.74
Rot. Bonds7

About bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate

bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate (PubChem CID 523392) has the molecular formula C14H32O5Si3 and a molecular weight of 364.66 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate
PubChem CID523392
Molecular FormulaC14H32O5Si3
Molecular Weight364.66 g/mol
Exact Mass364.16
IUPAC Namebis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate
SMILESCCC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-11-14(19-22(8,9)10,12(15)17-20(2,3)4)13(16)18-21(5,6)7/h11H2,1-10H3
InChIKeyBJHVLSPOKCHFGC-UHFFFAOYSA-N
XLogP3.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
CID 521571
Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
2-Deoxy-3-C-methyltetraric acid, TMS
CID 523329
Citramalic acid, TMS
CID 526005
Butanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 553016
Citramalic acid, 3TBDMS derivative
CID 91745249
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-(Hydroxymethyl)glyceraric acid, TMS
CID 523393
C-Methylglyceraric acid, TMS
CID 523395
Butanoic acid, 2,4-bis[(trimethylsilyl)oxy]-2-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 552774

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate (CID 523392) is bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate is CCC(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-ethyl-2-trimethylsilyloxypropanedioate?
The InChIKey is BJHVLSPOKCHFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O5Si3/c1-11-14(19-22(8,9)10,12(15)17-20(2,3)4)13(16)18-21(5,6)7/h11H2,1-10H3.
What are the key properties of bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate?
bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate has a molecular weight of 364.66 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-ethyl-2-trimethylsilyloxypropanedioate is sourced from PubChem (CID 523392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).