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

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Related Compounds

ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate
CID 101181778
ethyl (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxocyclopentene-1-carboxylate
CID 12003363
ethyl 5-ethoxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
CID 102432390
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethyl (2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 11080703
ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate
CID 15701750
ethyl 4-hydroxy-2-oxido-5-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
CID 134905535
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
ethyl (5S)-4-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
CID 11414835
3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 158231252
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate
CID 101036975

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).