icosa-11,14,17-trienoic acid

• ChemBase ID: 104963
• Molecular Formular: C20H34O2
• Molecular Mass: 306.48276
• Monoisotopic Mass: 306.25588033
• SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(=O)O
• Canonical SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(=O)O
• InChI: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)
• InChIKey: AHANXAKGNAKFSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosa-11,14,17-trienoic acid
• IUPAC Traditional name: 11,14,17-icosatrienoic acid
• Synonyms: cis-11,14,17-EICOSATRIENOIC ACID

Database IDs

• CAS Number: 2091-27-2
• PubChem SID: 162093344
• PubChem CID: 5282827

CALCULATED PROPERTIES

• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false
• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.293287
• LogD (pH = 7.4): 4.534152
• Log P: 6.9490924
• Molar Refractivity: 98.8374 cm^3
• Polarizability: 37.38399 Å^3

PROPERTIES

Safety Information

• Storage Condition: 0°C, Store Under Nitrogen

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02157904

Free Acid
Purity: 99%