94247-53-7

The 4-Cyclohexyl hydrogen 2-octadecenylsuccinate, with the CAS registry number 94247-53-7 and EINECS registry number 304-224-2, has the systematic name of 2-[2-(cyclohexoxy)-2-oxo-ethyl]icos-4-enoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₂₈H₄₉O₄.

The characteristics of 4-Cyclohexyl hydrogen 2-octadecenylsuccinate are as followings: (1)ACD/LogP: 11.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.78; (4)ACD/LogD (pH 7.4): 7.99; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 21; (8)Polar Surface Area: 66.43 Å²; (9)Flash Point: 174.6 °C; (10)Enthalpy of Vaporization: 93.33 kJ/mol; (11)Boiling Point: 569.1 °C at 760 mmHg; (12)Vapour Pressure: 1.94E-14 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1CCCCC1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O
(2)InChI: InChI=1/C28H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(28(30)31)24-27(29)32-26-22-19-17-20-23-26/h16,18,25-26H,2-15,17,19-24H2,1H3,(H,30,31)/p-1
(3)InChIKey: VNYJGPQINNHVKF-REWHXWOFAY