2,3-NAPHTHO-15-CROWN-5

The Naphtho[2,3-b]-1,4,7,10,13-pentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-, with CAS registry number 17454-47-6, belongs to the following product categories: (1)Chelation/Complexation Compounds; (2)Crown Ethers; (3)Synthetic Reagents. It has the systematic name of 2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13]pentaoxacyclopentadecine. When use it, do not breathe dust. And the chemical formula of this chemical is C₁₈H₂₂O₅.

Physical properties of Naphtho[2,3-b]-1,4,7,10,13-pentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.74; (6)ACD/BCF (pH 7.4): 15.74; (7)ACD/KOC (pH 5.5): 250.28; (8)ACD/KOC (pH 7.4): 250.28; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.15 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 87.35 cm³; (15)Molar Volume: 285.2 cm³; (16)Polarizability: 34.63×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.116 g/cm³; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 72.32 kJ/mol; (21)Boiling Point: 486.2 °C at 760 mmHg; (22)Vapour Pressure: 3.93E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c3c(OCCOCCOCCOCC1)cc2ccccc2c3
(2)InChI: InChI=1/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2
(3)InChIKey: BDTDDXDRCOLVNJ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2
(5)Std. InChIKey: BDTDDXDRCOLVNJ-UHFFFAOYSA-N