ethyl icosa-5,8,11,14,17-pentaenoate

• ChemBase ID: 127328
• Molecular Formular: C22H34O2
• Molecular Mass: 330.50416
• Monoisotopic Mass: 330.25588033
• SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC
• Canonical SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC
• InChI: InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3
• InChIKey: SSQPWTVBQMWLSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl icosa-5,8,11,14,17-pentaenoate
• IUPAC Traditional name: ethyl eicosapentaenoic acid
• Synonyms: Eicosapentaenoic acid ethyl ester; Ethyl eicosapentaenoate; Icosapent; Ethyl icosapentate; EPA ethyl ester; Icosapent ethyl; Ethyl eicosapentaenoic acid

Database IDs

• CAS Number: 86227-47-6
• PubChem SID: 162221649
• PubChem CID: 5353613; 9831415
• Wikipedia Title: Ethyl_eicosapentaenoic_acid

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.727951
• LogD (pH = 7.4): 6.727951
• Log P: 6.727951
• Molar Refractivity: 110.5883 cm^3
• Polarizability: 40.872074 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false