Triphenylene,1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro- (1610-39-5)

The Dodecahydrotriphenylene, with the CAS registry number 1610-39-5, is also known as 1,2,3,4,5,6,7,8,9,10,11,12-Dodecahydrotriphenylene. It belongs to the product categories of Miscellaneous; Arenes; Building Blocks; Organic Building Blocks. Its EINECS registry number is 216-550-1. This chemical's molecular formula is C₁₈H₂₄ and molecular weight is 240.38. Its IUPAC name and systematic name are the same which is called 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene. This chemical is white to yellow-beige fine crystalline powder.

Physical properties of Dodecahydrotriphenylene: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 199123.86; (6)ACD/BCF (pH 7.4): 199123.86; (7)ACD/KOC (pH 5.5): 216116.63; (8)ACD/KOC (pH 7.4): 216116.63; (9)Index of Refraction: 1.58; (10)Molar Refractivity: 76.61 cm³; (11)Molar Volume: 229.9 cm³; (12)Surface Tension: 42.2 dyne/cm; (13)Density: 1.045 g/cm³; (14)Melting Point: 231-233 °C (lit.); (15)Flash Point: 174.3 °C; (16)Enthalpy of Vaporization: 58.53 kJ/mol; (17)Boiling Point: 363.3 °C at 760 mmHg; (18)Vapour Pressure: 3.82E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2=C3CCCCC3=C4CCCCC4=C2C1
(2)InChI: InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
(3)InChIKey: ODHYDPYRIQKHCI-UHFFFAOYSA-N