3-(dimethoxymethyl)-2-methoxyoxolane

• ChemBase ID: 242939
• Molecular Formular: C8H16O4
• Molecular Mass: 176.21024
• Monoisotopic Mass: 176.10485899
• SMILES: C1(C(OCC1)OC)C(OC)OC
• Canonical SMILES: COC(C1CCOC1OC)OC
• InChI: InChI=1S/C8H16O4/c1-9-7(10-2)6-4-5-12-8(6)11-3/h6-8H,4-5H2,1-3H3
• InChIKey: RQIUEUDYRRIYQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethoxymethyl)-2-methoxyoxolane
• IUPAC Traditional name: 3-(dimethoxymethyl)-2-methoxyoxolane
• Synonyms: 3-(dimethoxymethyl)-2-methoxyoxolane

Database IDs

• MDL Number: MFCD22578551
• PubChem SID: 164298849
• PubChem CID: 11052183

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.37731105
• LogD (pH = 7.4): 0.37731105
• Log P: 0.37731105
• Molar Refractivity: 42.9616 cm^3
• Polarizability: 17.57197 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.781

Product Information

• Purity: 95%