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84540-23-8

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Basic Information
CAS No.: 84540-23-8
Name: 2-(ethoxymethyl)-5-methyl-7-(1-methylethyl)bicyclo[2.2.2]octane
Molecular Structure:
Molecular Structure of 84540-23-8 (2-(ethoxymethyl)-5-methyl-7-(1-methylethyl)bicyclo[2.2.2]octane)
Formula: C15H28O
Molecular Weight: 224.38
Synonyms: 8-(Ethoxymethyl)-5-isopropyl-2-methyl-bicyclo[2.2.2]octane;2-(Ethoxymethyl)-5-methyl-7-(1-methylethyl)bicyclo[2.2.2]octane;
EINECS: 283-115-0
Density: 0.878 g/cm3
Boiling Point: 280.1 °C at 760 mmHg
Flash Point: 109 °C
PSA: 9.23000
LogP: 3.97730
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Specification

The Bicyclo[2.2.2]octane, 2-(ethoxymethyl)-5-methyl-7-(1-methylethyl)-, with the CAS registry number 84540-23-8, is also known as 2-(Ethoxymethyl)-5-methyl-7-(1-methylethyl)bicyclo[2.2.2]octane. Its EINECS number is 283-115-0. This chemical's molecular formula is C15H28O and molecular weight is 224.38. What's more, its systematic name is 8-(ethoxymethyl)-5-isopropyl-2-methyl-bicyclo[2.2.2]octane. 

Physical properties of Bicyclo[2.2.2]octane, 2-(ethoxymethyl)-5-methyl-7-(1-methylethyl)- are: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.32; (4)ACD/LogD (pH 7.4): 5.32; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.454; (9)Molar Refractivity: 69.22 cm3; (10)Molar Volume: 255.4 cm3; (11)Polarizability: 27.44×10-24cm3; (12)Surface Tension: 26.5 dyne/cm; (13)Density: 0.878 g/cm3; (14)Flash Point: 109 °C; (15)Enthalpy of Vaporization: 49.79 kJ/mol; (16)Boiling Point: 280.1 °C at 760 mmHg; (17)Vapour Pressure: 0.00657 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C2CC1CC(COCC)C2CC1C
(2)InChI: InChI=1S/C15H28O/c1-5-16-9-13-7-12-8-14(10(2)3)15(13)6-11(12)4/h10-15H,5-9H2,1-4H3
(3)InChIKey: NGUXECYSEAJIMC-UHFFFAOYSA-N