3,4,10-trimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione

• ChemBase ID: 220135
• Molecular Formular: C15H12O4
• Molecular Mass: 256.25338
• Monoisotopic Mass: 256.07355886
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)occc1=O
• Canonical SMILES: Cc1c(=O)oc2c(c1C)cc1c(c2C)occc1=O
• InChI: InChI=1S/C15H12O4/c1-7-8(2)15(17)19-14-9(3)13-11(6-10(7)14)12(16)4-5-18-13/h4-6H,1-3H3
• InChIKey: PYEIFGOINRPFQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,10-trimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione
• IUPAC Traditional name: 3,4,10-trimethylpyrano[3,2-g]chromene-2,6-dione

Database IDs

• PubChem SID: 164276045
• PubChem CID: 371311

CALCULATED PROPERTIES

• Acid pKa: 15.534294
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6879609
• LogD (pH = 7.4): 2.6879609
• Log P: 2.6879609
• Molar Refractivity: 70.459 cm^3
• Polarizability: 26.438993 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds