1,3-Benzodioxol-5(6H)-one, 7,7a-dihydro-2,2,4,6,6-pentamethyl-

The systematic name of 7,7α-Dihydro-2,2,4,6,6-pentamethyl-1,3-benzodioxol-5(6H)-one is 2,2,4,6,6-pentamethyl-7,7a-dihydro-1,3-benzodioxol-5(6H)-one. With the CAS registry number 83020-74-0, it is also named as 1,3-Benzodioxol-5(6H)-one,7,7α-dihydro-2,2,4,6,6-pentamethyl-. The product's category is API Intermediates. In addition, its molecular formula is C₁₂H₁₈O₃ and molecular weight is 210.27.

The other characteristics of 7,7α-Dihydro-2,2,4,6,6-pentamethyl-1,3-benzodioxol-5(6H)-one can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.2; (6)ACD/BCF (pH 7.4): 33.2; (7)ACD/KOC (pH 5.5): 427.04; (8)ACD/KOC (pH 7.4): 427.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 56.56 cm³; (15)Molar Volume: 193.4 cm³; (16)Polarizability: 22.42×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 121.7 °C; (20)Enthalpy of Vaporization: 53.23 kJ/mol; (21)Boiling Point: 292.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00179 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC2(C)CC1OC(C)(C)O\C1=C(/C)C2=O
(2)InChI: InChI=1/C12H18O3/c1-7-9-8(14-12(4,5)15-9)6-11(2,3)10(7)13/h8H,6H2,1-5H3
(3)InChIKey: XNMQNTGJBBMQIX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H18O3/c1-7-9-8(14-12(4,5)15-9)6-11(2,3)10(7)13/h8H,6H2,1-5H3
(5)Std. InChIKey: XNMQNTGJBBMQIX-UHFFFAOYSA-N