ethyl 2,5-dimethyl-1,6-dioxaspiro[2.5]octane-2-carboxylate

• ChemBase ID: 181036
• Molecular Formular: C11H18O4
• Molecular Mass: 214.25822
• Monoisotopic Mass: 214.12050906
• SMILES: C1(C2(O1)CC(OCC2)C)(C(=O)OCC)C
• Canonical SMILES: CCOC(=O)C1(C)OC21CCOC(C2)C
• InChI: InChI=1S/C11H18O4/c1-4-13-9(12)10(3)11(15-10)5-6-14-8(2)7-11/h8H,4-7H2,1-3H3
• InChIKey: QRRLJOPJLWRZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,5-dimethyl-1,6-dioxaspiro[2.5]octane-2-carboxylate
• IUPAC Traditional name: ethyl 2,5-dimethyl-1,6-dioxaspiro[2.5]octane-2-carboxylate

Database IDs

• PubChem SID: 164236946
• PubChem CID: 3115869

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.87996185
• LogD (pH = 7.4): 0.87996185
• Log P: 0.87996185
• Molar Refractivity: 53.8883 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

• Classification: Derivatives & analogs of Natural Compounds