3-sec-Butyl-4-oxo-oxetane-2-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-sec-Butyl-4-oxo-oxetane-2-carboxylic acid tert-butyl ester
• CAS No.: 692778-51-1
• Molecular Formula: C₁₂H₂₀O₄
• Molecular Weight: 228.288
• DSSTox Substance ID: DTXSID001142132
• Mol file: 692778-51-1.mol

Synonyms:692778-51-1;3-sec-Butyl-4-oxo-oxetane-2-carboxylic acid tert-butyl ester;DTXSID001142132;1,1-Dimethylethyl (2R,3S)-3-[(1S)-1-methylpropyl]-4-oxo-2-oxetanecarboxylate

Chemical Property of 3-sec-Butyl-4-oxo-oxetane-2-carboxylic acid tert-butyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1C(OC1=O)C(=O)OC(C)(C)C
• Isomeric SMILES: CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)OC(C)(C)C