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The 3-(2-Octen-1-yl)dihydro-2,5-furandione, with the CAS registry number 42482-06-4, is also known as 2,5-Furandione, dihydro-3-(2-octenyl)-. This chemical's molecular formula is C12H18O3 and molecular weight is 210.27. What's more, its systematic name is 3-(2-Octen-1-yl)dihydro-2,5-furandione.
Physical properties of 3-(2-Octen-1-yl)dihydro-2,5-furandione are: (1)ACD/LogP: 2.538; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 49.97; (6)ACD/BCF (pH 7.4): 49.97; (7)ACD/KOC (pH 5.5): 572.17; (8)ACD/KOC (pH 7.4): 572.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 57.495 cm3; (15)Molar Volume: 202.981 cm3; (16)Polarizability: 22.793×10-24cm3; (17)Surface Tension: 36.0 dyne/cm; (18)Density: 1.036 g/cm3; (19)Flash Point: 148.474 °C; (20)Enthalpy of Vaporization: 57.291 kJ/mol; (21)Boiling Point: 330.345 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)CC1CC=CCCCCC
(2)Std. InChI: InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3
(3)Std. InChIKey: WSGFXVFLWVXTCJ-UHFFFAOYSA-N