3-(diethoxymethyl)-2-ethoxyoxolane

• ChemBase ID: 261689
• Molecular Formular: C11H22O4
• Molecular Mass: 218.28998
• Monoisotopic Mass: 218.15180918
• SMILES: C1(C(OCC1)OCC)C(OCC)OCC
• Canonical SMILES: CCOC(C1CCOC1OCC)OCC
• InChI: InChI=1S/C11H22O4/c1-4-12-10(13-5-2)9-7-8-15-11(9)14-6-3/h9-11H,4-8H2,1-3H3
• InChIKey: DNWIQYGZMJTBKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diethoxymethyl)-2-ethoxyoxolane
• IUPAC Traditional name: 3-(diethoxymethyl)-2-ethoxyoxolane
• Synonyms: 3-(diethoxymethyl)-2-ethoxyoxolane

Database IDs

• MDL Number: MFCD08558978
• PubChem SID: 164317599
• PubChem CID: 11579424

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4266633
• LogD (pH = 7.4): 1.4266633
• Log P: 1.4266633
• Molar Refractivity: 57.2074 cm^3
• Polarizability: 23.05984 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.386

Product Information

• Purity: 95%