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151772-66-6

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Basic Information
CAS No.: 151772-66-6
Name: 4-(trans-4-methylcyclohexyl)cyclohexanone
Molecular Structure:
Molecular Structure of 151772-66-6 (4-(trans-4-methylcyclohexyl)cyclohexanone)
Formula: C13H22O
Molecular Weight: 194.317
Synonyms: [1,1'-Bicyclohexyl]-4-one, 4'-methyl-;
Density: 0.956 g/cm3
Boiling Point: 282.8 °C at 760 mmHg
Flash Point: 117.3 °C
PSA: 17.07000
LogP: 3.57200
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  • Trans-4-(Trans-4-methylcyclohexyl)cyclohexylanone

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    Trans-4-(Trans-4-methylcyclohexyl)cyclohexylanone

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  • 4-(trans-4-methylcyclohexyl)cyclohexanone

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    4-(trans-4-methylcyclohexyl)cyclohexanone

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The Trans-4-(Trans-4-methylcyclohexyl)cyclohexylanone, with the CAS registry number of 151772-66-6, is also known as [1,1'-Bicyclohexyl]-4-one, 4'-methyl-. Its molecular formula is C13H22O and molecular weight is 194.3132. What's more, its systematic name is 4'-Methyl-1,1'-bi(cyclohexyl)-4-one.

Physical properties about the Trans-4-(Trans-4-methylcyclohexyl)cyclohexylanone are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 459.7; (6)ACD/BCF (pH 7.4): 459.7; (7)ACD/KOC (pH 5.5): 2801.6; (8)ACD/KOC (pH 7.4): 2801.6; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 58.22 cm3; (15)Molar Volume: 203 cm3; (16)Surface Tension: 34.1 dyne/cm; (17)Density: 0.956 g/cm3; (18)Flash Point: 117.3 °C; (19)Enthalpy of Vaporization: 52.17 kJ/mol; (20)Boiling Point: 282.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00328 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(CC1)C2CCC(C)CC2
(2) InChI: InChI=1/C13H22O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h10-12H,2-9H2,1H3
(3) InChIKey: RHUNWKYRWMYYMP-UHFFFAOYAM