1-chloro-2-(2-methoxyethoxy)ethane

• ChemBase ID: 275398
• Molecular Formular: C5H11ClO2
• Molecular Mass: 138.59264
• Monoisotopic Mass: 138.04475727
• SMILES: ClCCOCCOC
• Canonical SMILES: COCCOCCCl
• InChI: InChI=1S/C5H11ClO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
• InChIKey: JIQXRLOYKOJECL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-(2-methoxyethoxy)ethane
• IUPAC Traditional name: 1-chloro-2-(2-methoxyethoxy)ethane
• Synonyms: 1-chloro-2-(2-methoxyethoxy)ethane

Database IDs

• MDL Number: MFCD00068779
• PubChem SID: 164331308
• PubChem CID: 94934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.74206376
• LogD (pH = 7.4): 0.74206376
• Log P: 0.74206376
• Molar Refractivity: 33.3993 cm^3
• Polarizability: 13.213643 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.408

Product Information

• Purity: 95%