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167633-81-0

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Basic Information
CAS No.: 167633-81-0
Name: 1-[(4-Ethoxyphenyl)ethynyl]-4-(4-propylcyclohexyl)benzene
Molecular Structure:
Molecular Structure of 167633-81-0 (1-[(4-Ethoxyphenyl)ethynyl]-4-(4-propylcyclohexyl)benzene)
Formula: C25H30O
Molecular Weight: 346.51
Synonyms: 1-ethoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene;
Density: 1.04 g/cm3
Boiling Point: 477.263 °C at 760 mmHg
Flash Point: 243.48 °C
PSA: 9.23000
LogP: 6.55900
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    Molecular Formula C25H30O Molecular Weight 346.51 CAS Registry Number 167633-81-0 Name1-[(4-Ethoxyphenyl)ethynyl]-4-(4-pro…

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Specification

The 1-[(4-Ethoxyphenyl)ethynyl]-4-(4-propylcyclohexyl)benzene, with the cas registry number 167633-81-0, has the systematic name of 1-ethoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene. And the molecular formula of the chemical is C25H30O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 9.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.501; (4)ACD/LogD (pH 7.4): 9.501; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3513138.75; (8)ACD/KOC (pH 7.4): 3513138.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 109.314 cm3; (15)Molar Volume: 333.193 cm3; (16)Polarizability: 43.336×10-24cm3; (17)Surface Tension: 44.148 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 243.48 °C; (20)Enthalpy of Vaporization: 71.286 kJ/mol; (21)Boiling Point: 477.263 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)C#Cc3ccc(cc3)OCC
(2)InChI: InChI=1/C25H30O/c1-3-5-20-8-14-23(15-9-20)24-16-10-21(11-17-24)6-7-22-12-18-25(19-13-22)26-4-2/h10-13,16-20,23H,3-5,8-9,14-15H2,1-2H3/t20-,23-
(3)InChIKey: ADQFOQFNQXFZLH-JKIUYZKVBG