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The Bicyclo[2.2.1]heptan-2-ol,2-ethyl-1,3,3-trimethyl-, with the CAS registry number 18368-91-7, is also known as 2-Ethylfenchol. Its EINECS number is 242-243-7. It belongs to the product categories of Alphabetical Listings; E-F; Flavors and Fragrances. This chemical's molecular formula is C12H22O and molecular weight is 182.3. What's more, its systematic name is 2-Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol. Its classification code is TSCA Flag P.
Physical properties of Bicyclo[2.2.1]heptan-2-ol,2-ethyl-1,3,3-trimethyl- are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 438.39; (6)ACD/BCF (pH 7.4): 438.39; (7)ACD/KOC (pH 5.5): 2708.01; (8)ACD/KOC (pH 7.4): 2708.01; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 55.08 cm3; (15)Molar Volume: 191.3 cm3; (16)Polarizability: 21.83×10-24 cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.952 g/cm3; (19)Flash Point: 88.9 °C; (20)Enthalpy of Vaporization: 53.58 kJ/mol; (21)Boiling Point: 224.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0185 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1(C(C2CCC1(C2)C)(C)C)O
(2)InChI: InChI=1S/C12H22O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h9,13H,5-8H2,1-4H3
(3)InChIKey: KIPCKEJKGCXRGA-UHFFFAOYSA-N