2-[2-(formyloxy)ethoxy]ethyl formate

• ChemBase ID: 287185
• Molecular Formular: C6H10O5
• Molecular Mass: 162.1406
• Monoisotopic Mass: 162.05282342
• SMILES: O=COCCOCCOC=O
• Canonical SMILES: O=COCCOCCOC=O
• InChI: InChI=1S/C6H10O5/c7-5-10-3-1-9-2-4-11-6-8/h5-6H,1-4H2
• InChIKey: JGJDTAFZUXGTQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(formyloxy)ethoxy]ethyl formate
• IUPAC Traditional name: 2-[2-(formyloxy)ethoxy]ethyl formate
• Synonyms: Diethyleneglycol diformate

Database IDs

• CAS Number: 120570-77-6
• PubChem SID: 180672716
• PubChem CID: 346287

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.47080117
• LogD (pH = 7.4): -0.47080117
• Log P: -0.47080117
• Molar Refractivity: 34.9191 cm^3
• Polarizability: 14.201892 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%