ethyl 3-(oxetan-3-yloxy)propanoate

• ChemBase ID: 136377
• Molecular Formular: C8H14O4
• Molecular Mass: 174.19436
• Monoisotopic Mass: 174.08920893
• SMILES: CCOC(=O)CCOC1COC1
• Canonical SMILES: CCOC(=O)CCOC1COC1
• InChI: InChI=1S/C8H14O4/c1-2-11-8(9)3-4-12-7-5-10-6-7/h7H,2-6H2,1H3
• InChIKey: FNMLRKVYAHHGRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(oxetan-3-yloxy)propanoate
• IUPAC Traditional name: ethyl 3-(oxetan-3-yloxy)propanoate
• Synonyms: Ethyl 3-(3-oxetanyloxy)propanoate

Database IDs

• MDL Number: MFCD14586422
• PubChem SID: 162230647
• PubChem CID: 53484584

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1835141
• LogD (pH = 7.4): 0.1835141
• Log P: 0.1835141
• Molar Refractivity: 42.0589 cm^3
• Polarizability: 16.966852 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C8H14O4

DETAILS

Sigma Aldrich - L500259

Other Notes
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