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CAS No.: | 95756-62-0 |
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Name: | trans-4-Ethoxy-trans-4'-propyl-[1,1'-bicyclohexyl] |
Molecular Structure: | |
Formula: | C17H32O |
Molecular Weight: | 252.44 |
Synonyms: | 1-Ethoxy-4-(4-propylcyclohexyl)cyclohexane;trans-4-Ethoxy-trans-4'-propyl-[1,1'-bicyclohexyl]; |
Density: | 0.902 g/cm3 |
Boiling Point: | 310.425 °C at 760 mmHg |
Flash Point: | 137.178 °C |
PSA: | 9.23000 |
LogP: | 5.18820 |
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The 1,1'-Bicyclohexyl,4-ethoxy-4'-propyl-, (trans,trans)- with CAS registry number of 95756-62-0 is also known as trans-4-(trans-4-Propylcyclohexyl)cyclohexyl ethyl ether. The systematic name is 1-Ethoxy-4-(4-propylcyclohexyl)cyclohexane. In addition, the formula is C17H32O and the molecular weight is 252.44.
Physical properties about 1,1'-Bicyclohexyl,4-ethoxy-4'-propyl-, (trans,trans)- are: (1)ACD/LogP: 6.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.565; (4)ACD/LogD (pH 7.4): 6.565; (5)ACD/BCF (pH 5.5): 57513.516; (6)ACD/BCF (pH 7.4): 57513.516; (7)ACD/KOC (pH 5.5): 88843.383; (8)ACD/KOC (pH 7.4): 88843.383; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 78.327 cm3; (13)Molar Volume: 279.795 cm3; (14)Surface Tension: 31.755 dyne/cm; (15)Density: 0.902 g/cm3; (16)Flash Point: 137.178 °C; (17)Enthalpy of Vaporization: 52.927 kJ/mol; (18)Boiling Point: 310.425 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: CCC[C@H]1CCC(CC1)[C@H]2CC[C@@H](CC2)OCC
2. InChI: InChI=1/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3/t14-,15?,16-,17-
3. InChIKey: WFNGXXFOYRNZIV-KMYWJTCLBY
4. Std. InChI: InChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3/t14-,15?,16-,17-
5. Std. InChIKey: WFNGXXFOYRNZIV-KMYWJTCLSA-N