methyl 3-methoxybutanoate

• ChemBase ID: 237527
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: C(=O)(CC(OC)C)OC
• Canonical SMILES: COC(CC(=O)OC)C
• InChI: InChI=1S/C6H12O3/c1-5(8-2)4-6(7)9-3/h5H,4H2,1-3H3
• InChIKey: NRMQYDNCUDPVAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-methoxybutanoate
• IUPAC Traditional name: methyl 3-methoxybutanoate
• Synonyms: methyl 3-methoxybutanoate

Database IDs

• MDL Number: MFCD00128186
• PubChem SID: 164293437
• PubChem CID: 11228821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.40201455
• LogD (pH = 7.4): 0.40201455
• Log P: 0.40201455
• Molar Refractivity: 32.9844 cm^3
• Polarizability: 13.281858 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.599

Product Information

• Purity: 95%