1,1-Cyclopentanedicarboxylicacid, 3-hydroxy-, 1,1-diethyl ester (21736-07-2)

The 3-Hydroxycyclopentane-1,1-dicarboxylic acid diethyl ester, with the CAS registry number 21736-07-2, has the systematic name of diethyl 3-hydroxycyclopentane-1,1-dicarboxylate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₁H₁₈O₅.

The characteristics of 3-Hydroxycyclopentane-1,1-dicarboxylic acid diethyl ester are as followings: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.67; (6)ACD/BCF (pH 7.4): 2.67; (7)ACD/KOC (pH 5.5): 70.28; (8)ACD/KOC (pH 7.4): 70.28; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.83 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 55.72 cm³; (15)Molar Volume: 192.3 cm³; (16)Polarizability: 22.08×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.196 g/cm³; (19)Flash Point: 103.1 °C; (20)Enthalpy of Vaporization: 61.69 kJ/mol; (21)Boiling Point: 292.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000199 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)C1(CCC(C1)O)C(=O)OCC
(2)InChI: InChI=1/C11H18O5/c1-3-15-9(13)11(10(14)16-4-2)6-5-8(12)7-11/h8,12H,3-7H2,1-2H3
(3)InChIKey: MLOZQIXOIZCXKB-UHFFFAOYAN