2,2,4,6,6-PENTAMETHYLHEPTANE

The Heptane,2,2,4,6,6-pentamethyl-, with CAS registry number 13475-82-6, has the systematic name of 2,2,4,6,6-pentamethylheptane. Besides this, it is also called Permethyl 99A. And the chemical formula of this chemical is C₁₂H₂₆. This chemical is incompatible with oxidizing agents. What's more, its EINECS is 250-816-8.

Physical properties of Heptane,2,2,4,6,6-pentamethyl-: (1)ACD/LogP: 6.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.22; (4)ACD/LogD (pH 7.4): 6.22; (5)ACD/BCF (pH 5.5): 31206.67; (6)ACD/BCF (pH 7.4): 31206.67; (7)ACD/KOC (pH 5.5): 57354.35; (8)ACD/KOC (pH 7.4): 57354.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 57.53 cm³; (15)Molar Volume: 227 cm³; (16)Polarizability: 22.8×10^-24cm³; (17)Surface Tension: 22.9 dyne/cm; (18)Density: 0.75 g/cm³; (19)Flash Point: 58.4 °C; (20)Enthalpy of Vaporization: 39.65 kJ/mol; (21)Boiling Point: 177.1 °C at 760 mmHg; (22)Vapour Pressure: 1.42 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Heptane,2,2,4,6,6-pentamethyl- is flammable. And it is harmful, so it may cause lung damage if swallowed. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. When use it, do not breathe vapour and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)CC(CC(C)(C)C)C
(2)InChI: InChI=1/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
(3)InChIKey: VKPSKYDESGTTFR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
(5)Std. InChIKey: VKPSKYDESGTTFR-UHFFFAOYSA-N