Name: 1-Methoxy-4-(trans-4-pentylcyclohexyl)benzene
SKU: 84952-30-7

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Basic Information

Molecular Structure:
CAS No.:	84952-30-7
Name:	1-Methoxy-4-(trans-4-pentylcyclohexyl)benzene

Formula:	C₁₈H₂₈O
Molecular Weight:	260.42
Synonyms:	Benzene,1-methoxy-4-(4-pentylcyclohexyl)-, trans-;PCH 5O1;trans-1-(p-Methoxyphenyl)-4-pentylcyclohexane;
Density:	0.924 g/cm³
Boiling Point:	360.7 °C at 760 mmHg
Flash Point:	181 °C
PSA:	9.23000
LogP:	5.54930

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Specification

The 1-Methoxy-4-(trans-4-pentylcyclohexyl)benzene, with the CAS registry number 84952-30-7, is also known as Methyl 4-(trans-4-pentylcyclohexyl)phenyl ether. This chemical's molecular formula is C₁₈H₂₈O and molecular weight is 260.41. Its systematic name is called 1-methoxy-4-(trans-4-pentylcyclohexyl)benzene. This chemical can be used as intermediates of liquid crystals.

Physical properties of 1-Methoxy-4-(trans-4-pentylcyclohexyl)benzene: (1)ACD/LogP: 7.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.27; (4)ACD/LogD (pH 7.4): 7.27; (5)ACD/BCF (pH 5.5): 197606.91; (6)ACD/BCF (pH 7.4): 197606.91; (7)ACD/KOC (pH 5.5): 214936.75; (8)ACD/KOC (pH 7.4): 214936.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 82.01 cm³; (14)Molar Volume: 281.7 cm³; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 0.924 g/cm³; (17)Flash Point: 181 °C; (18)Enthalpy of Vaporization: 58.25 kJ/mol; (19)Boiling Point: 360.7 °C at 760 mmHg; (20)Vapour Pressure: 4.53E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)[C@@H]2CC[C@@H](CCCCC)CC2
(2)InChI: InChI=1/C18H28O/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h11-16H,3-10H2,1-2H3/t15-,16-
(3)InChIKey: YZEXUPSVZPXFON-WKILWMFIBD