The CAS registry number of (Cyclohexylmethyl) hydrogen 2-octadecenylsuccinate is 93882-65-6. Its EINECS registry number is 299-453-7. This chemical's molecular formula is C29H52O4 and molecular weight is 464.72078. Its systematic name is called 3-(cyclohexylmethoxycarbonyl)henicos-5-enoate.
Physical properties of (Cyclohexylmethyl) hydrogen 2-octadecenylsuccinate: (1)ACD/LogP: 11.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.31; (4)ACD/LogD (pH 7.4): 8.51; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 22; (8)Flash Point: 171.8 °C; (9)Enthalpy of Vaporization: 93.24 kJ/mol; (10)Boiling Point: 568.5 °C at 760 mmHg; (11)Vapour Pressure: 2.08E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCC1CCCCC1
(2)InChI: InChI=1/C29H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(24-28(30)31)29(32)33-25-26-21-18-17-19-22-26/h16,20,26-27H,2-15,17-19,21-25H2,1H3,(H,30,31)/p-1
(3)InChIKey: ISVGYZNMDOGTBA-REWHXWOFAT
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