2-methoxy-2-methyl-1,3-dioxolane

• ChemBase ID: 172837
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: O1C(OCC1)(C)OC
• Canonical SMILES: COC1(C)OCCO1
• InChI: InChI=1S/C5H10O3/c1-5(6-2)7-3-4-8-5/h3-4H2,1-2H3
• InChIKey: CFWJJSGESLDGKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-methyl-1,3-dioxolane
• IUPAC Traditional name: 2-methoxy-2-methyl-1,3-dioxolane
• Synonyms: Orthoacetic Acid Cyclic Ethylene Methyl Ester; 2-Methyl-2-methoxy-1,3-dioxolane; 2-Methoxy-2-methyl-1,3-dioxolane

Database IDs

• CAS Number: 19798-71-1
• PubChem SID: 164228747
• PubChem CID: 11116036

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.82256794
• LogD (pH = 7.4): 0.82256794
• Log P: 0.82256794
• Molar Refractivity: 28.2194 cm^3
• Polarizability: 11.3569 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colorless Oil