1-(2-methoxyethyl)cyclobutane-1-carbaldehyde

• ChemBase ID: 248568
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C1(C=O)(CCC1)CCOC
• Canonical SMILES: COCCC1(CCC1)C=O
• InChI: InChI=1S/C8H14O2/c1-10-6-5-8(7-9)3-2-4-8/h7H,2-6H2,1H3
• InChIKey: BSFIBIXKRUIEAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)cyclobutane-1-carbaldehyde
• IUPAC Traditional name: 1-(2-methoxyethyl)cyclobutane-1-carbaldehyde
• Synonyms: 1-(2-methoxyethyl)cyclobutane-1-carbaldehyde

Database IDs

• PubChem SID: 164304478
• PubChem CID: 71758524

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0494338
• LogD (pH = 7.4): 1.0494338
• Log P: 1.0494338
• Molar Refractivity: 39.5004 cm^3
• Polarizability: 15.5047455 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.05

Product Information

• Purity: 95%