[1-(ethoxymethyl)cyclobutyl]methanol

• ChemBase ID: 244059
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: C1(CO)(COCC)CCC1
• Canonical SMILES: CCOCC1(CO)CCC1
• InChI: InChI=1S/C8H16O2/c1-2-10-7-8(6-9)4-3-5-8/h9H,2-7H2,1H3
• InChIKey: NWRQETLDSCFDFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(ethoxymethyl)cyclobutyl]methanol
• IUPAC Traditional name: [1-(ethoxymethyl)cyclobutyl]methanol
• Synonyms: [1-(ethoxymethyl)cyclobutyl]methanol

Database IDs

• MDL Number: MFCD22628435
• PubChem SID: 164299969
• PubChem CID: 71757402

CALCULATED PROPERTIES

• Acid pKa: 15.039792
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.80373305
• LogD (pH = 7.4): 0.803733
• Log P: 0.80373305
• Molar Refractivity: 40.4769 cm^3
• Polarizability: 16.049152 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.097

Product Information

• Purity: 95%