(2-chloroethoxy)cyclopropane

• ChemBase ID: 812844
• Molecular Formular: C5H9ClO
• Molecular Mass: 120.57736
• Monoisotopic Mass: 120.03419259
• SMILES: C1(CC1)OCCCl
• Canonical SMILES: ClCCOC1CC1
• InChI: InChI=1S/C5H9ClO/c6-3-4-7-5-1-2-5/h5H,1-4H2
• InChIKey: UAVNLVWTJMUQOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethoxy)cyclopropane
• IUPAC Traditional name: (2-chloroethoxy)cyclopropane
• Synonyms: (2-CHLOROETHOXY)CYCLOPROPANE

Database IDs

• CAS Number: 17714-18-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2546039
• LogD (pH = 7.4): 1.2546039
• Log P: 1.2546039
• Molar Refractivity: 29.567 cm^3
• Polarizability: 11.75971 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%