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68480-24-0

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Basic Information
CAS No.: 68480-24-0
Name: 6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-one
Molecular Structure:
Molecular Structure of 68480-24-0 (6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-one)
Formula: C14H22O
Molecular Weight: 206.328
Synonyms: 6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-one;6-(2,2,3-Trimethyl-3-cyclopenten-1-yl)-5-hexen-3-one;5-Hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-;Einecs 270-901-3
EINECS: 270-901-3
Density: 0.933 g/cm3
Boiling Point: 284.5 °C at 760 mmHg
Flash Point: 103.1 °C
PSA: 17.07000
LogP: 3.90420
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Specification

This chemical is called 5-Hexen-3-one,6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, and its systematic name is 6-(2,2,3-Trimethyl-1-cyclopent-3-enyl)hex-5-en-3-one. With the molecular formula of C14H22O, its molecular weight is 206.32. The CAS registry number of the chemical is 68480-24-0. 

Other characteristics of 5-Hexen-3-one,6-(2,2,3-trimethyl-3-cyclopenten-1-yl)- can be summarised as followings: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.512; (10)Molar Refractivity: 66.36 cm3; (11)Molar Volume: 220.9 cm3; (12)Polarizability: 26.3×10-24cm3; (13)Surface Tension: 33.6 dyne/cm; (14)Density: 0.933 g/cm3; (15)Flash Point: 103.1 °C; (16)Enthalpy of Vaporization: 52.35 kJ/mol; (17)Boiling Point: 284.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00296 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCC(=O)CC=CC1C\C=C(\C)C1(C)C
2.InChI: InChI=1/C14H22O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12H,5,8,10H2,1-4H3
3.InChIKey: YZZSBPWKVIUTHA-UHFFFAOYAA
4.Std. InChI: InChI=1S/C14H22O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12H,5,8,10H2,1-4H3
5.Std. InChIKey: YZZSBPWKVIUTHA-UHFFFAOYSA-N