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10264-56-9

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Basic Information
CAS No.: 10264-56-9
Name: 3-isopropylcyclopentanone
Article Data: 39
Molecular Structure:
Molecular Structure of 10264-56-9 (3-isopropylcyclopentanone)
Formula: C8H14O
Molecular Weight: 126.199
Synonyms: 3-isopropylcyclopentanone;3-isopropyl-cyclopentanone;3-Isopropyl-cyclopentanon;Dihydrotanacetophoron;(+/-)-1-isopropyl-cyclopentanone-(3);(+/-)-1-Isopropyl-cyclopentanon-(3);
Density: 0.919 g/cm3
Boiling Point: 174.438 °C at 760 mmHg
PSA: 17.07000
LogP: 2.01160
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Specification

This chemical is called 3-Isopropylcyclopentanone, and its systematic name is 3-(propan-2-yl)cyclopentanone. With the molecular formula of C8H14O, its molecular weight is 126.20. The CAS registry number of this chemical is 10264-56-9.

Other characteristics of the 3-Isopropylcyclopentanone can be summarised as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 170; (8)ACD/KOC (pH 7.4): 170; (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: 1.452; (14)Molar Refractivity: 37.054 cm3; (15)Molar Volume: 137.323 cm3; (16)Polarizability: 14.689×10-24cm3; (17)Surface Tension: 30.198 dyne/cm; (18)Density: 0.919 g/cm3; (19)Flash Point: 52.36 °C; (20)Enthalpy of Vaporization: 41.078 kJ/mol; (21)Boiling Point: 174.438 °C at 760 mmHg; (22)Vapour Pressure: 1.206 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(C)C1CC(=O)CC1
2.InChI: InChI=1/C8H14O/c1-6(2)7-3-4-8(9)5-7/h6-7H,3-5H2,1-2H3
3.InChIKey: PYAUPTMCTBUIGA-UHFFFAOYAC