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7452-95-1

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Basic Information
CAS No.: 7452-95-1
Name: 4-(Trimethylsilyl)cyclohexanone
Article Data: 8
Molecular Structure:
Molecular Structure of 7452-95-1 (4-(Trimethylsilyl)cyclohexanone)
Formula: C9H18OSi
Molecular Weight: 170.327
Synonyms: 4-(Trimethylsilyl)cyclohexanone;
Density: 0.88 g/cm3
Boiling Point: 213.2 °C at 760 mmHg
Flash Point: 82.8 °C
PSA: 17.07000
LogP: 2.83790
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Specification

The 4-(Trimethylsilyl)cyclohexanone, with the CAS registry number 7452-95-1, is also known as cyclohexanone, 4-(trimethylsilyl)-. Its molecular formula is C9H18OSi and its molecular weight is 170.3241.

Other characteristics of the 4-(Trimethylsilyl)cyclohexanone can be summarised as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.41; (6)ACD/BCF (pH 7.4): 31.41; (7)ACD/KOC (pH 5.5): 410.38; (8)ACD/KOC (pH 7.4): 410.38; (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: 1.438; (14)Molar Refractivity: 50.51 cm3; (15)Molar Volume: 192.1 cm3; (16)Polarizability: 20.02×10-24cm3; (17)Surface Tension: 23.7 dyne/cm; (18)Density: 0.88 g/cm3; (19)Flash Point: 82.8 °C; (20)Enthalpy of Vaporization: 44.95 kJ/mol; (21)Boiling Point: 213.2 °C at 760 mmHg; (22)Vapour Pressure: 0.166 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1CCC([Si](C)(C)C)CC1
2.InChI: InChI=1/C9H18OSi/c1-11(2,3)9-6-4-8(10)5-7-9/h9H,4-7H2,1-3H3
3.InChIKey: HBLRCPXWWKKKMN-UHFFFAOYAY