1-ethoxy-2-(2-methoxyethoxy)ethane

• ChemBase ID: 3180
• Molecular Formular: C7H16O3
• Molecular Mass: 148.20014
• Monoisotopic Mass: 148.10994437
• SMILES: CCOCCOCCOC
• Canonical SMILES: COCCOCCOCC
• InChI: InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3
• InChIKey: CNJRPYFBORAQAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2-(2-methoxyethoxy)ethane
• IUPAC Traditional name: 1-ethoxy-2-(2-methoxyethoxy)ethane
• Synonyms: 1-Ethoxy-2-(2-Methoxyethoxy)Ethane

Database IDs

• CAS Number: 1002-67-1
• MDL Number: MFCD01727263
• PubChem SID: 160966624; 46505754
• PubChem CID: 13847

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.38740638
• LogD (pH = 7.4): 0.38740638
• Log P: 0.38740638
• Molar Refractivity: 39.8481 cm^3
• Polarizability: 15.720697 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.23
• LOG S: -0.77
• Solubility (Water): 2.53e+01 g/l

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

DrugBank - DB03508

Drug information: experimental