(2R)-2-(2-Propyn-1-yl)heptanoic acid (675831-45-5)

The (2R)-2-(2-Propyn-1-yl)heptanoic acid with cas registry number of 675831-45-5, is also called R-2-prop-2-ynyl-heptanoic acid .

Physical properties of (2R)-2-(2-Propyn-1-yl)heptanoic acid :(1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 47.729 cm³; (15)Molar Volume: 172.37 cm³; (16)Polarizability: 18.921×10^-24cm³; (17)Surface Tension: 38.074 dyne/cm; (18)Enthalpy of Vaporization: 55.932 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:(1)SMILES:O=C(O)[C@H](CCCCC)CC#C; (2)InChI:InChI=1/C10H16O2/c1-3-5-6-8-9(7-4-2)10(11)12/h2,9H,3,5-8H2,1H3,(H,11,12)/t9-/m0/s1; (3)InChIKey:ZZDSHRABQMWUNE-VIFPVBQEBY; (4)Std. InChI:InChI=1S/C10H16O2/c1-3-5-6-8-9(7-4-2)10(11)12/h2,9H,3,5-8H2,1H3,(H,11,12)/t9-/m0/s1; (5)Std. InChIKey:ZZDSHRABQMWUNE-VIFPVBQESA-N .