1,11-bis(furan-2-yl)undecan-6-one

• ChemBase ID: 112293
• Molecular Formular: C19H26O3
• Molecular Mass: 302.40794
• Monoisotopic Mass: 302.18819469
• SMILES: O=C(CCCCCc1ccco1)CCCCCc1ccco1
• Canonical SMILES: O=C(CCCCCc1ccco1)CCCCCc1ccco1
• InChI: InChI=1S/C19H26O3/c20-17(9-3-1-5-11-18-13-7-15-21-18)10-4-2-6-12-19-14-8-16-22-19/h7-8,13-16H,1-6,9-12H2
• InChIKey: FGEBSKUHWKKVHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,11-bis(furan-2-yl)undecan-6-one
• IUPAC Traditional name: 1,11-bis(furan-2-yl)undecan-6-one
• Synonyms: 2-FURYL-n-PENTYL KETONE

Database IDs

• PubChem SID: 162106723
• PubChem CID: 25021689

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1401873
• LogD (pH = 7.4): 5.1401873
• Log P: 5.1401873
• Molar Refractivity: 87.5364 cm^3
• Polarizability: 33.82612 Å^3
• Polar Surface Area: 43.35 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 65°C

DETAILS

MP Biomedicals - 05223365

MP Biomedicals Rare Chemical collection