2-(2-chloroethoxy)propane

• ChemBase ID: 122049
• Molecular Formular: C5H11ClO
• Molecular Mass: 122.59324
• Monoisotopic Mass: 122.04984265
• SMILES: ClCCOC(C)C
• Canonical SMILES: ClCCOC(C)C
• InChI: InChI=1S/C5H11ClO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
• InChIKey: ZPEFUABIKZOZPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethoxy)propane
• IUPAC Traditional name: 2-(2-chloroethoxy)propane
• Synonyms: 2-(2-chloroethoxy)propane

Database IDs

• MDL Number: MFCD08282690
• PubChem SID: 162216402
• PubChem CID: 8022540

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5624223
• LogD (pH = 7.4): 1.5624223
• Log P: 1.5624223
• Molar Refractivity: 31.5232 cm^3
• Polarizability: 12.47141 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.242

Product Information

• Purity: 95%