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

• ChemBase ID: 201288
• Molecular Formular: C17H20O3
• Molecular Mass: 272.3389
• Monoisotopic Mass: 272.1412445
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OC(CC1)(C)C
• Canonical SMILES: O=c1oc2c(C)c3OC(C)(C)CCc3cc2c(c1C)C
• InChI: InChI=1S/C17H20O3/c1-9-10(2)16(18)19-15-11(3)14-12(8-13(9)15)6-7-17(4,5)20-14/h8H,6-7H2,1-5H3
• InChIKey: GSBLIRJRBZBGIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257198
• PubChem CID: 908793

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0156636
• LogD (pH = 7.4): 4.0156636
• Log P: 4.0156636
• Molar Refractivity: 78.6597 cm^3
• Polarizability: 30.220867 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