3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione

C9H16O5Si — CID 154407791

IUPAC3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione
SMILESCOC(OC)[SiH2]CCC1CC(=O)OC1=O
InChIInChI=1S/C9H16O5Si/c1-12-9(13-2)15-4-3-6-5-7(10)14-8(6)11/h6,9H,3-5,15H2,1-2H3
InChIKeyWEAPPQXLVDYFEI-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.37
Rot. Bonds6

About 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione

3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione (PubChem CID 154407791) has the molecular formula C9H16O5Si and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione
PubChem CID154407791
Molecular FormulaC9H16O5Si
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione
SMILESCOC(OC)[SiH2]CCC1CC(=O)OC1=O
InChIInChI=1S/C9H16O5Si/c1-12-9(13-2)15-4-3-6-5-7(10)14-8(6)11/h6,9H,3-5,15H2,1-2H3
InChIKeyWEAPPQXLVDYFEI-UHFFFAOYSA-N
XLogP-0.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.37
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethyl)oxolane-2,5-dione
CID 13255588
ethane;3-propyloxolane-2,5-dione
CID 143734634
3-[7-(2,5-dioxooxolan-3-yl)heptyl]oxolane-2,5-dione
CID 59893092
3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione
CID 172816330
3-(3-ethylhexyl)oxolane-2,5-dione
CID 151871204
3-[2-(methylamino)ethyl]oxolane-2,5-dione
CID 54031250
3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763
3-tetratetracontyloxolane-2,5-dione
CID 14694291
(3R)-3-hexyloxolane-2,5-dione
CID 3084893
3-dotriacontyloxolane-2,5-dione
CID 14694279
3-(3-silylpropyl)oxolane-2,5-dione
CID 149433044
3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 23116723

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione?
The IUPAC name of 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione (CID 154407791) is 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione?
The canonical SMILES for 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione is COC(OC)[SiH2]CCC1CC(=O)OC1=O.
What is the InChIKey of 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione?
The InChIKey is WEAPPQXLVDYFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5Si/c1-12-9(13-2)15-4-3-6-5-7(10)14-8(6)11/h6,9H,3-5,15H2,1-2H3.
What are the key properties of 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione?
3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione has a molecular weight of 232.31 g/mol, XLogP of -0.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethoxymethylsilyl)ethyl]oxolane-2,5-dione is sourced from PubChem (CID 154407791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).