ethyl 1-oxaspiro[2.5]octane-2-carboxylate

• ChemBase ID: 119172
• Molecular Formular: C10H16O3
• Molecular Mass: 184.23224
• Monoisotopic Mass: 184.10994437
• SMILES: C1(OC21CCCCC2)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1OC21CCCCC2
• InChI: InChI=1S/C10H16O3/c1-2-12-9(11)8-10(13-8)6-4-3-5-7-10/h8H,2-7H2,1H3
• InChIKey: MARQMDSVINDKRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-oxaspiro[2.5]octane-2-carboxylate
• IUPAC Traditional name: ethyl 1-oxaspiro[2.5]octane-2-carboxylate
• Synonyms: ethyl 1-oxaspiro[2.5]octane-2-carboxylate

Database IDs

• PubChem SID: 162107402
• PubChem CID: 95588

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8687054
• LogD (pH = 7.4): 1.8687054
• Log P: 1.8687054
• Molar Refractivity: 47.2949 cm^3
• Polarizability: 19.17389 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds