4,8,8,10-tetramethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one

• ChemBase ID: 200982
• Molecular Formular: C16H18O3
• Molecular Mass: 258.31232
• Monoisotopic Mass: 258.12559444
• SMILES: c12c(c(cc(=O)o2)C)cc2c(c1C)OC(CC2)(C)C
• Canonical SMILES: O=c1cc(C)c2c(o1)c(C)c1c(c2)CCC(O1)(C)C
• InChI: InChI=1S/C16H18O3/c1-9-7-13(17)18-15-10(2)14-11(8-12(9)15)5-6-16(3,4)19-14/h7-8H,5-6H2,1-4H3
• InChIKey: LRGNGGCZBSYAGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8,8,10-tetramethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
• IUPAC Traditional name: 4,8,8,10-tetramethyl-6H,7H-pyrano[3,2-g]chromen-2-one

Database IDs

• PubChem SID: 164256892
• PubChem CID: 908685

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6201131
• LogD (pH = 7.4): 3.6201131
• Log P: 3.6201131
• Molar Refractivity: 74.3026 cm^3
• Polarizability: 28.379616 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds