The Tetracyclo[6.1.0.02,4.05,7]nonane, 3, 3, 6, 6, 9, 9-hexamethyl-, (1α, 2α, 4α, 5β, 7β, 8α)- (9CI), with the CAS registry number 51898-92-1, is also known as Tetracyclo[6.1.0.0(2, 4).0(5, 7)]nonane, 3, 3, 6, 6, 9, 9-hexamethyl-, cis, cis, trans--. This chemical's molecular formula is C15H24 and molecular weight is 204.3511. What's more, its systematic name is 3, 3, 6, 6, 9, 9-hexamethyltetracyclo[6.1.0.02,4.05,7]nonane.
Physical properties about Tetracyclo[6.1.0.02,4.05,7]nonane, 3, 3, 6, 6, 9, 9-hexamethyl-, (1α, 2α, 4α, 5β, 7β, 8α)- (9CI) are: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23174.21; (6)ACD/BCF (pH 7.4): 23174.21; (7)ACD/KOC (pH 5.5): 46350.68; (8)ACD/KOC (pH 7.4): 46350.68; (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: 1.495; (14)Molar Refractivity: 63.62 cm3; (15)Molar Volume: 217.9 cm3; (16)Polarizability: 25.22×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.937 g/cm3; (19)Flash Point: 83.4 °C; (20)Enthalpy of Vaporization: 44.48 kJ/mol; (21)Boiling Point: 227.1 °C at 760 mmHg; (22)Vapour Pressure: 0.118 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C13C(C1C2C(C2C4C3C4(C)C)(C)C)(C)C
(2) InChI: InChI=1/C15H24/c1-13(2)7-8(13)10-12(15(10,5)6)11-9(7)14(11,3)4/h7-12H,1-6H3
(3) InChIKey: JJDXPPCRRNQMNJ-UHFFFAOYAS
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