ethyl 2-(oxan-4-yl)propanoate

• ChemBase ID: 243664
• Molecular Formular: C10H18O3
• Molecular Mass: 186.24812
• Monoisotopic Mass: 186.12559444
• SMILES: C(=O)(C(C1CCOCC1)C)OCC
• Canonical SMILES: CCOC(=O)C(C1CCOCC1)C
• InChI: InChI=1S/C10H18O3/c1-3-13-10(11)8(2)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
• InChIKey: BZQJYCUZVIJNJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(oxan-4-yl)propanoate
• IUPAC Traditional name: ethyl 2-(oxan-4-yl)propanoate
• Synonyms: ethyl 2-(oxan-4-yl)propanoate

Database IDs

• MDL Number: MFCD21607038
• PubChem SID: 164299574
• PubChem CID: 67078268

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4319499
• LogD (pH = 7.4): 1.4319499
• Log P: 1.4319499
• Molar Refractivity: 50.0617 cm^3
• Polarizability: 19.891783 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.271

Product Information

• Purity: 95%