7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-

The Isoimperatorin with CAS registry number of 482-45-1 is also known as 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]- (8Cl,9Cl). The IUPAC name is 4-[(3-Methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one. It belongs to product categories of Miscellaneous Natural Products; Heterocyclic Compounds; Heterocycles.  In addition, the formula is C₁₆H₁₄O₄ and the molecular weight is 270.28.

Physical properties about Isoimperatorin are: (1)ACD/LogP: 3.88; (2)ACD/LogD (pH 5.5): 3.88; (3)ACD/LogD (pH 7.4): 3.88; (4)ACD/BCF (pH 5.5): 523.99; (5)ACD/BCF (pH 7.4): 523.99; (6)ACD/KOC (pH 5.5): 3076.77; (7)ACD/KOC (pH 7.4): 3076.77; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.606; (11)Molar Refractivity: 75.01 cm³; (12)Molar Volume: 217.4 cm³; (13)Surface Tension: 46.7 dyne/cm; (14)Density: 1.242 g/cm³; (15)Flash Point: 224.9 °C; (16)Enthalpy of Vaporization: 70.68 kJ/mol; (17)Boiling Point: 448.3 °C at 760 mmHg; (18)Vapour Pressure: 3.13E-08 mmHg at 25 °C.

Uses of Isoimperatorin: it is used to produce 4-(3,3-Dimethyl-oxiranylmethoxy)-furo[3,2-g]chromen-7-one. The reaction occurs with reagent MCPBA and solvent CHCl₃ at 0 °C for 2 hours. The yield is about 76%.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
2. InChI: InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
3. InChIKey: IGWDEVSBEKYORK-UHFFFAOYSA-N