1-cyclopropyl-2-methoxyethan-1-one

• ChemBase ID: 236680
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: C1(CC1)C(=O)COC
• Canonical SMILES: COCC(=O)C1CC1
• InChI: InChI=1S/C6H10O2/c1-8-4-6(7)5-2-3-5/h5H,2-4H2,1H3
• InChIKey: SRUHSAYUENORGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-2-methoxyethan-1-one
• IUPAC Traditional name: 1-cyclopropyl-2-methoxyethanone
• Synonyms: 1-cyclopropyl-2-methoxyethan-1-one

Database IDs

• MDL Number: MFCD19605848
• PubChem SID: 164292590
• PubChem CID: 18967822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7119545
• LogD (pH = 7.4): 0.7119545
• Log P: 0.7119545
• Molar Refractivity: 30.0474 cm^3
• Polarizability: 11.834835 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.276

Product Information

• Purity: 95%