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65443-14-3

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Basic Information
CAS No.: 65443-14-3
Name: 2,2,5-TRIMETHYL-5-PENTYLCYCLOPENTANONE
Article Data: 2
Molecular Structure:
Molecular Structure of 65443-14-3 (2,2,5-TRIMETHYL-5-PENTYLCYCLOPENTANONE)
Formula: C13H24O
Molecular Weight: 196.333
Synonyms: 2,2,5-Trimethyl-5-pentylcyclopentanone;Veloutone;
EINECS: 265-779-3
Density: 0.856g/cm3
Boiling Point: 247.2 °C at 760 mmHg
Flash Point: 96 °C
Solubility: 18.9mg/L at 20℃
PSA: 17.07000
LogP: 3.96210
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Specification

The 2,2,5-Trimethyl-5-pentylcyclopentanone, with cas registry number 65443-14-3, has the systematic name of 2,2,5-trimethyl-5-pentylcyclopentanone. And its IUPAC name is the same one. Its other registry number is 193818-98-3. What's more, its EINECS is 265-779-3.

Physical properties about this chemical are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1275.64; (6)ACD/BCF (pH 7.4): 1275.64; (7)ACD/KOC (pH 5.5): 5816.72; (8)ACD/KOC (pH 7.4): 5816.72; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 60.34 cm3; (15)Molar Volume: 229.1 cm3; (16)Polarizability: 23.92×10-24cm3; (17)Surface Tension: 26.2 dyne/cm; (18)Enthalpy of Vaporization: 48.43 kJ/mol; (19)Vapour Pressure: 0.0261 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C1C(C)(CCCCC)CCC1(C)C
(2)InChI: InChI=1/C13H24O/c1-5-6-7-8-13(4)10-9-12(2,3)11(13)14/h5-10H2,1-4H3
(3)InChIKey: PUKWIVZFEZFVAT-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H24O/c1-5-6-7-8-13(4)10-9-12(2,3)11(13)14/h5-10H2,1-4H3
(5)Std. InChIKey: PUKWIVZFEZFVAT-UHFFFAOYSA-N