Androst-5-en-3-one (10247-98-0)

The CAS register number of Androst-4-en-3-one is 10247-98-0. It also can be called as 1,7,8,10,11,12,13,15,16,17-decahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one and the systematic name about this chemical is androst-4-en-3-one. The molecular formula about this chemical is C₁₉H₂₈O and molecular weight is 272.42.

Physical properties about Androst-4-en-3-one are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)Polar Surface Area: 17.07Ų; (5)Index of Refraction: 1.542; (6)Molar Refractivity: 81.6 cm³; (7)Molar Volume: 258.9 cm³; (8)Polarizability: 32.34x10^-24cm³; (9)Surface Tension: 39.3 dyne/cm; (10)Enthalpy of Vaporization: 64.01 kJ/mol; (11)Boiling Point: 390.6 °C at 760 mmHg; (12)Vapour Pressure: 2.61E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3(CCC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)InChI: InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
(3)InChIKey: MSEZLHAVPJYYIQ-VMXHOPILBL
(4)Std. InChI: InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
(5)Std. InChIKey: MSEZLHAVPJYYIQ-VMXHOPILSA-N