bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate

C12H22O6Si2 — CID 553088

IUPACbis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate
SMILESC[Si](C)(C)OC(=O)C1CC(=O)OC1C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H22O6Si2/c1-19(2,3)17-11(14)8-7-9(13)16-10(8)12(15)18-20(4,5)6/h8,10H,7H2,1-6H3
InChIKeyIBEFDHMMOJYHKQ-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.67
Rot. Bonds4

About bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate

bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate (PubChem CID 553088) has the molecular formula C12H22O6Si2 and a molecular weight of 318.47 g/mol. Its IUPAC name is bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate.

Molecular Properties

Compound Namebis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate
PubChem CID553088
Molecular FormulaC12H22O6Si2
Molecular Weight318.47 g/mol
Exact Mass318.10
IUPAC Namebis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate
SMILESC[Si](C)(C)OC(=O)C1CC(=O)OC1C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H22O6Si2/c1-19(2,3)17-11(14)8-7-9(13)16-10(8)12(15)18-20(4,5)6/h8,10H,7H2,1-6H3
InChIKeyIBEFDHMMOJYHKQ-UHFFFAOYSA-N
XLogP1.67
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-5-oxooxolane-2,3-dicarboxylic acid;5-oxooxolane-2,3-dicarboxylic acid
CID 160880182
5-acetyl-4-methyloxolan-2-one
CID 14713998
propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate
CID 46831566
trimethylsilyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate
CID 131052928
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14391647
trimethylsilyl (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate
CID 22214291
acetonitrile;(2R,3S)-2-methoxycarbonyl-5-oxooxolane-3-carboxylic acid;methyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate
CID 158900795
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide
CID 68539806
(4R)-4-ethyloxetan-2-one
CID 14325240

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate?
The IUPAC name of bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate (CID 553088) is bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate.
What is the SMILES notation for bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate?
The canonical SMILES for bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate is C[Si](C)(C)OC(=O)C1CC(=O)OC1C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate?
The InChIKey is IBEFDHMMOJYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6Si2/c1-19(2,3)17-11(14)8-7-9(13)16-10(8)12(15)18-20(4,5)6/h8,10H,7H2,1-6H3.
What are the key properties of bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate?
bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate has a molecular weight of 318.47 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate is sourced from PubChem (CID 553088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).