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CAS No.: | 116503-39-0 |
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Name: | 2,2,5,5,8,8-Hexamethylnona-3,6-diyne |
Molecular Structure: | |
Formula: | C15H24 |
Molecular Weight: | 204.356 |
Synonyms: | 2,2,5,5,8,8-Hexamethylnona-3,6-diyne; |
Density: | 0.841 g/cm3 |
Boiling Point: | 266.9 °C at 760 mmHg |
Flash Point: | 109.5 °C |
PSA: | 0.00000 |
LogP: | 4.11160 |
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The 3, 6-Nonadiyne, 2, 2, 5, 5, 8, 8-hexamethyl- has CAS registry number 116503-39-0. This chemical's molecular formula is C15H24 and molecular weight is 204.35. What's more, its IUPAC name is 2, 2, 5, 5, 8, 8-Hexamethylnona-3, 6-diyne.
Physical properties about 3, 6-Nonadiyne, 2, 2, 5, 5, 8, 8-hexamethyl- are: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.16; (4)ACD/LogD (pH 7.4): 5.16; (5)ACD/BCF (pH 5.5): 4904.44; (6)ACD/BCF (pH 7.4): 4904.44; (7)ACD/KOC (pH 5.5): 15251.63; (8)ACD/KOC (pH 7.4): 15251.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 67.44 cm3; (15)Molar Volume: 242.8 cm3; (16)Polarizability: 26.73×10-24 cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 0.841 g/cm3; (19)Flash Point: 109.5 °C; (20)Enthalpy of Vaporization: 48.45 kJ/mol; (21)Boiling Point: 266.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0139 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C(#CC(C)(C)C)C(C#CC(C)(C)C)(C)C
(2) InChI: InChI=1/C15H24/c1-13(2,3)9-11-15(7,8)12-10-14(4,5)6/h1-8H3
(3) InChIKey: XQCLEAPKEXXCOD-UHFFFAOYAX