(2-methoxyethenyl)cyclopropane

• ChemBase ID: 797997
• Molecular Formular: C6H10O
• Molecular Mass: 98.143
• Monoisotopic Mass: 98.07316494
• SMILES: C1(CC1)C=COC
• Canonical SMILES: COC=CC1CC1
• InChI: InChI=1S/C6H10O/c1-7-5-4-6-2-3-6/h4-6H,2-3H2,1H3
• InChIKey: PJPMEFIJBKCSBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethenyl)cyclopropane
• IUPAC Traditional name: (2-methoxyethenyl)cyclopropane
• Synonyms: (2-Methoxy-vinyl)-cyclopropane

Database IDs

• CAS Number: 73686-07-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2837207
• LogD (pH = 7.4): 1.2837207
• Log P: 1.2837207
• Molar Refractivity: 29.7256 cm^3
• Polarizability: 11.503811 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%