ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

• ChemBase ID: 797738
• Molecular Formular: C11H18O4
• Molecular Mass: 214.25822
• Monoisotopic Mass: 214.12050906
• SMILES: O1CCOC21CCC(CC2)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CCC2(CC1)OCCO2
• InChI: InChI=1S/C11H18O4/c1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h9H,2-8H2,1H3
• InChIKey: UXXWGBLTOSRBAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
• IUPAC Traditional name: ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
• Synonyms: 1,4-Dioxa-spiro[4.5]decane-8-carboxylic acid ethyl ester

Database IDs

• CAS Number: 1489-97-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4737811
• LogD (pH = 7.4): 1.4737811
• Log P: 1.4737811
• Molar Refractivity: 54.2546 cm^3
• Polarizability: 21.73487 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%