(4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene (2001-50-5)

The (4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene with cas registry number of 2001-50-5, is also called trans-Δ2-Octalin .

Physical properties of (4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene :(1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1398; (6)ACD/BCF (pH 7.4): 1398; (7)ACD/KOC (pH 5.5): 6212; (8)ACD/KOC (pH 7.4): 6212; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 43.773 cm³; (15)Molar Volume: 151.721 cm³; (16)Polarizability: 17.353×10^-24cm³; (17)Surface Tension: 31.878 dyne/cm; (18)Enthalpy of Vaporization: 40.769 kJ/mol; (19)Vapour Pressure: 0.809 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:C\1=C\C[C@H]2CCCC[C@@H]2C/1; (2)InChI:InChI=1/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,9-10H,3-8H2/t9-,10-/m0/s1; (3)InChIKey:XLOVPKCQAPHUKK-UWVGGRQHBN; (4)Std. InChI:InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,9-10H,3-8H2/t9-,10-/m0/s1; (5)Std. InChIKey:XLOVPKCQAPHUKK-UWVGGRQHSA-N.