propan-2-yl octadeca-9,12,15-trienoate

• ChemBase ID: 110114
• Molecular Formular: C21H36O2
• Molecular Mass: 320.50934
• Monoisotopic Mass: 320.27153039
• SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC(C)C
• Canonical SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC(C)C
• InChI: InChI=1S/C21H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3
• InChIKey: SQOVKJOWVZUDDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl octadeca-9,12,15-trienoate
• IUPAC Traditional name: isopropyl octadeca-9,12,15-trienoate
• Synonyms: ISOPROPYL LINOLENATE PRACTICAL GRADE

Database IDs

• PubChem SID: 162106333
• PubChem CID: 5743782

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9792323
• LogD (pH = 7.4): 6.9792323
• Log P: 6.9792323
• Molar Refractivity: 103.5719 cm^3
• Polarizability: 39.49335 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Grade: PRACTICAL

DETAILS

MP Biomedicals - 05213788

MP Biomedicals Rare Chemical collection