2-[bis(prop-2-yn-1-yloxy)methyl]furan

• ChemBase ID: 83352
• Molecular Formular: C11H10O3
• Molecular Mass: 190.1953
• Monoisotopic Mass: 190.06299418
• SMILES: o1c(ccc1)C(OCC#C)OCC#C
• Canonical SMILES: C#CCOC(c1ccco1)OCC#C
• InChI: InChI=1S/C11H10O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h1-2,5-6,9,11H,7-8H2
• InChIKey: XVACQOAWONSQCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[bis(prop-2-yn-1-yloxy)methyl]furan
• IUPAC Traditional name: 2-[bis(prop-2-yn-1-yloxy)methyl]furan
• Synonyms: 2-[di(prop-2-ynyloxy)methyl]furan

Database IDs

• MDL Number: MFCD00099309
• PubChem SID: 162070470
• PubChem CID: 2780148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6443379
• LogD (pH = 7.4): 1.6443379
• Log P: 1.6443379
• Molar Refractivity: 50.9575 cm^3
• Polarizability: 19.285934 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true