1-cyclopropyl-2-methoxyethan-1-ol

• ChemBase ID: 241925
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: C1(CC1)C(O)COC
• Canonical SMILES: COCC(C1CC1)O
• InChI: InChI=1S/C6H12O2/c1-8-4-6(7)5-2-3-5/h5-7H,2-4H2,1H3
• InChIKey: PUMHQGRMQFQPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-2-methoxyethan-1-ol
• IUPAC Traditional name: 1-cyclopropyl-2-methoxyethanol
• Synonyms: 1-cyclopropyl-2-methoxyethan-1-ol

Database IDs

• MDL Number: MFCD19606855
• PubChem SID: 164297835
• PubChem CID: 17937355

CALCULATED PROPERTIES

• Acid pKa: 14.170849
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.27479178
• LogD (pH = 7.4): 0.2747917
• Log P: 0.27479178
• Molar Refractivity: 30.917 cm^3
• Polarizability: 12.376324 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.147

Product Information

• Purity: 95%