trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate

C9H20O4Si2 — CID 91696629

IUPACtrimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O4Si2/c1-14(2,3)12-7-8(10)9(11)13-15(4,5)6/h7H2,1-6H3
InChIKeyRZVDTOKDGCVRJJ-UHFFFAOYSA-N
MW248.43 g/mol
LogP1.79
Rot. Bonds5

About trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate

trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate (PubChem CID 91696629) has the molecular formula C9H20O4Si2 and a molecular weight of 248.43 g/mol. Its IUPAC name is trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate
PubChem CID91696629
Molecular FormulaC9H20O4Si2
Molecular Weight248.43 g/mol
Exact Mass248.09
IUPAC Nametrimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O4Si2/c1-14(2,3)12-7-8(10)9(11)13-15(4,5)6/h7H2,1-6H3
InChIKeyRZVDTOKDGCVRJJ-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propanoic acid, 3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521581
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-(4-Bromobutyl)-9,10-dihydrophenanthrene
CID 528652
Ketomalonic acid, TMS
CID 23324411
Methyl 2-oxo-3-triethylsilyloxypropanoate
CID 71763487
4-Deoxytetronic acid, threo-, tri-TMS
CID 523376
Erythronic acid, tetra-TMS
CID 528655
4-Deoxytetronic acid, erithro-, tri-TMS
CID 91751318
Bis[2-(trimethylsilyl)ethyl] oxopropanedioate
CID 13326100
Ethyl 2-oxo-3-(1,1,2,2-tetramethyl-1-silapropoxy)propanoate
CID 57333114

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate (CID 91696629) is trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate is C[Si](C)(C)OCC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate?
The InChIKey is RZVDTOKDGCVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si2/c1-14(2,3)12-7-8(10)9(11)13-15(4,5)6/h7H2,1-6H3.
What are the key properties of trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate?
trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate has a molecular weight of 248.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-oxo-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 91696629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).