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

• ChemBase ID: 201885
• Molecular Formular: C18H22O3
• Molecular Mass: 286.36548
• Monoisotopic Mass: 286.15689456
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OC(CC2)(C)C
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CCC(Oc1c2C)(C)C
• InChI: InChI=1S/C18H22O3/c1-5-6-12-10-15(19)20-17-11(2)16-13(9-14(12)17)7-8-18(3,4)21-16/h9-10H,5-8H2,1-4H3
• InChIKey: JJDANHFWHIIVRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257795
• PubChem CID: 908998

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5092506
• LogD (pH = 7.4): 4.5092506
• Log P: 4.5092506
• Molar Refractivity: 83.5046 cm^3
• Polarizability: 32.063076 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds