1,1,4-Trimethylcyclohexane

The 1, 1, 4-Trimethylcyclohexane, with the CAS registry number 7094-27-1, is also known as Trimethylcyclohexane. This chemical's molecular formula is C₉H₁₈ and molecular weight is 126.24. What's more, its IUPAC name is 1, 1, 4-Trimethylcyclohexane.

Physical properties about 1, 1, 4-Trimethylcyclohexane are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3177.74; (6)ACD/BCF (pH 7.4): 3177.74; (7)ACD/KOC (pH 5.5): 11179.2; (8)ACD/KOC (pH 7.4): 11179.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 41.69 cm³; (15)Molar Volume: 164.8 cm³; (16)Surface Tension: 23.4 dyne/cm; (17)Density: 0.765 g/cm³; (18)Flash Point: 25.2 °C; (19)Enthalpy of Vaporization: 35.71 kJ/mol; (20)Boiling Point: 135 °C at 760 mmHg; (21)Vapour Pressure: 9.73 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical must be placed in a well-ventilated place. In addition, you should take precautionary measures against static discharges. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1CCC(C)(C)CC1
(2) InChI: InChI=1/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3
(3) InChIKey: UIWORXHEVNIOJG-UHFFFAOYAZ