13-Ethyl-11-methylenegon-4-en-17-one (54024-21-4)

The 13-Ethyl-11-methylenegon-4-en-17-one with its cas register number is 54024-21-4. It also can be called as 13-Ethyl-11-methylenegon-4-en-17-one and the Systematic name about this chemical is (8S,10R,13S)-13-ethyl-11-methylene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one. It belongs to the following product categories, such as Intermediates & Fine Chemicals, Pharmaceuticals, Steroids and so on. This chemical can be used as Desogestrel intermediate.

Physical properties about 13-Ethyl-11-methylenegon-4-en-17-one are: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.14; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 4745.703; (6)ACD/BCF (pH 7.4): 4745.703; (7)ACD/KOC (pH 5.5): 14896.664; (8)ACD/KOC (pH 7.4): 14896.664; (9)#H bond acceptors: 1 ; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.07Ų; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 85.741 cm³; (14)Molar Volume: 270.541 cm³; (15)Polarizability: 33.991x10^-24cm³; (16)Surface Tension: 38.943 dyne/cm; (17)Enthalpy of Vaporization: 66.518 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: CC[C@]12CC(=C)C3[C@H](C1CCC2=O)CCC4=CCCC[C@H]34
(2)InChI: InChI=1/C20H28O/c1-3-20-12-13(2)19-15-7-5-4-6-14(15)8-9-16(19)17(20)10-11-18(20)21/h6,15-17,19H,2-5,7-12H2,1H3/t15-,16-,17?,19?,20-/m0/s1
(3)InChIKey: KVNYZZFGXXHVMG-FKFKMFNGBH
(4)Std. InChI: InChI=1S/C20H28O/c1-3-20-12-13(2)19-15-7-5-4-6-14(15)8-9-16(19)17(20)10-11-18(20)21/h6,15-17,19H,2-5,7-12H2,1H3/t15-,16-,17?,19?,20-/m0/s1
(5)Std. InChIKey: KVNYZZFGXXHVMG-FKFKMFNGSA-N