3-(octadeca-2,5,8,11,14,16-hexaen-1-yl)oxolane-2,5-dione

• ChemBase ID: 112335
• Molecular Formular: C22H28O3
• Molecular Mass: 340.45592
• Monoisotopic Mass: 340.20384476
• SMILES: C/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
• Canonical SMILES: C/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
• InChI: InChI=1S/C22H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h2-5,7-8,10-11,13-14,16-17,20H,6,9,12,15,18-19H2,1H3
• InChIKey: WEDPWRGEBAUTTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(octadeca-2,5,8,11,14,16-hexaen-1-yl)oxolane-2,5-dione
• IUPAC Traditional name: 3-(octadeca-2,5,8,11,14,16-hexaen-1-yl)oxolane-2,5-dione
• Synonyms: HEXAPROPENYL SUCCINIC ANHYDRIDE

Database IDs

• PubChem SID: 162106658
• PubChem CID: 71300210

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6648126
• LogD (pH = 7.4): 5.6648126
• Log P: 5.6648126
• Molar Refractivity: 109.8227 cm^3
• Polarizability: 39.93061 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05223536

MP Biomedicals Rare Chemical collection