1-methoxypentan-3-ol

• ChemBase ID: 243114
• Molecular Formular: C6H14O2
• Molecular Mass: 118.17416
• Monoisotopic Mass: 118.09937969
• SMILES: C(C(O)CC)COC
• Canonical SMILES: COCCC(CC)O
• InChI: InChI=1S/C6H14O2/c1-3-6(7)4-5-8-2/h6-7H,3-5H2,1-2H3
• InChIKey: AZMRGYLVBHEDEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxypentan-3-ol
• IUPAC Traditional name: 1-methoxypentan-3-ol
• Synonyms: 1-methoxypentan-3-ol

Database IDs

• MDL Number: MFCD14661443
• PubChem SID: 164299024
• PubChem CID: 19352068

CALCULATED PROPERTIES

• Acid pKa: 15.196153
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.43350458
• LogD (pH = 7.4): 0.43350458
• Log P: 0.43350458
• Molar Refractivity: 33.113 cm^3
• Polarizability: 13.096364 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.553

Product Information

• Purity: 95%