2-{spiro[2.2]pentan-1-yl}-5-[1-(5-{spiro[2.2]pentan-1-yl}furan-2-yl)ethyl]furan

• ChemBase ID: 181918
• Molecular Formular: C20H22O2
• Molecular Mass: 294.38748
• Monoisotopic Mass: 294.16197994
• SMILES: C12(C(c3oc(C(c4oc(C5C6(C5)CC6)cc4)C)cc3)C1)CC2
• Canonical SMILES: CC(c1ccc(o1)C1CC21CC2)c1ccc(o1)C1CC21CC2
• InChI: InChI=1S/C20H22O2/c1-12(15-2-4-17(21-15)13-10-19(13)6-7-19)16-3-5-18(22-16)14-11-20(14)8-9-20/h2-5,12-14H,6-11H2,1H3
• InChIKey: XWFQMXAWNXJJKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{spiro[2.2]pentan-1-yl}-5-[1-(5-{spiro[2.2]pentan-1-yl}furan-2-yl)ethyl]furan
• IUPAC Traditional name: 2-{spiro[2.2]pentan-1-yl}-5-[1-(5-{spiro[2.2]pentan-1-yl}furan-2-yl)ethyl]furan

Database IDs

• PubChem SID: 164237828
• PubChem CID: 24133803

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7735896
• LogD (pH = 7.4): 3.7735896
• Log P: 3.7735896
• Molar Refractivity: 84.387 cm^3
• Polarizability: 32.596687 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Rare Derivatives of Natural Compounds