ethyl 2-(oxetan-3-yl)acetate

• ChemBase ID: 136368
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: CCOC(=O)CC1COC1
• Canonical SMILES: CCOC(=O)CC1COC1
• InChI: InChI=1S/C7H12O3/c1-2-10-7(8)3-6-4-9-5-6/h6H,2-5H2,1H3
• InChIKey: GCHXUULRRZDDFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(oxetan-3-yl)acetate
• IUPAC Traditional name: ethyl 2-(oxetan-3-yl)acetate
• Synonyms: Ethyl 3-oxetanylacetate

Database IDs

• MDL Number: MFCD14586417
• PubChem SID: 162230638
• PubChem CID: 13403883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.1193367
• LogD (pH = 7.4): 0.1193367
• Log P: 0.1193367
• Molar Refractivity: 36.1094 cm^3
• Polarizability: 14.39813 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H12O3

DETAILS

Sigma Aldrich - L500135

Other Notes
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