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2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one

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Name

2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one

EINECS N/A
CAS No. 41715-82-6 Density 1.032 g/cm3
PSA 26.30000 LogP 4.24110
Solubility N/A Melting Point N/A
Formula C17H22O2 Boiling Point 403.1 °C at 760 mmHg
Molecular Weight 258.36 Flash Point 172.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41715-82-6 (2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one) Hazard Symbols N/A
Synonyms

2-Propen-1-one, 2-cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)-;

Article Data 1

2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one Specification

The 2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one, with the CAS registry number of 41715-82-6, is also known as 2-Propen-1-one, 2-cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)-. This chemical's molecular formula is C17H22O2 and molecular weight is 258.36. What's more, its systematic name is called 2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one.

Physical properties about the 2-Cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 3807.89; (6)ACD/BCF (pH 7.4): 3807.89; (7)ACD/KOC (pH 5.5): 12724.7; (8)ACD/KOC (pH 7.4): 12724.7; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 77.72 cm3; (15)Molar Volume: 250.2 cm3; (16)Surface Tension: 37.3 dyne/cm; (17)Density: 1.032 g/cm3; (18)Flash Point: 172.6 °C; (19)Enthalpy of Vaporization: 65.44 kJ/mol; (20)Boiling Point: 403.1 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:C=C(C(=O)c1ccc(OC)c(C)c1C)C2CCCC2
(2) InChI: InChI=1/C17H22O2/c1-11-12(2)16(19-4)10-9-15(11)17(18)13(3)14-7-5-6-8-14/h9-10,14H,3,5-8H2,1-2,4H3
(3) InChIKey:KMWVVBNIRPOBBU-UHFFFAOYAX

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