ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

C12H23NO5Si — CID 101451880

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23NO5Si/c1-7-16-11(14)10-9(8-17-13(10)15)18-19(5,6)12(2,3)4/h9H,7-8H2,1-6H3
InChIKeyWKYFBKMZQHRJGG-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.84
Rot. Bonds4

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate (PubChem CID 101451880) has the molecular formula C12H23NO5Si and a molecular weight of 289.40 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
PubChem CID101451880
Molecular FormulaC12H23NO5Si
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23NO5Si/c1-7-16-11(14)10-9(8-17-13(10)15)18-19(5,6)12(2,3)4/h9H,7-8H2,1-6H3
InChIKeyWKYFBKMZQHRJGG-UHFFFAOYSA-N
XLogP1.84
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate (CID 101451880) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate is CCOC(=O)C1=[N+]([O-])OCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
The InChIKey is WKYFBKMZQHRJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5Si/c1-7-16-11(14)10-9(8-17-13(10)15)18-19(5,6)12(2,3)4/h9H,7-8H2,1-6H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate is sourced from PubChem (CID 101451880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).