8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromene-2,9-dione

• ChemBase ID: 185406
• Molecular Formular: C14H12O4
• Molecular Mass: 244.24268
• Monoisotopic Mass: 244.07355886
• SMILES: c12c3oc(=O)ccc3ccc1OC(C(=O)C2)(C)C
• Canonical SMILES: O=c1ccc2c(o1)c1CC(=O)C(Oc1cc2)(C)C
• InChI: InChI=1S/C14H12O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6H,7H2,1-2H3
• InChIKey: UKSKSIFYCHCZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromene-2,9-dione
• IUPAC Traditional name: 8,8-dimethyl-10H-pyrano[2,3-h]chromene-2,9-dione

Database IDs

• PubChem SID: 164241316
• PubChem CID: 759294

CALCULATED PROPERTIES

• Acid pKa: 11.537255
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2959208
• LogD (pH = 7.4): 2.2958896
• Log P: 2.2959213
• Molar Refractivity: 65.5186 cm^3
• Polarizability: 24.94113 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Keto-Enol 4:3
• Classification: Genuine Natural Compounds