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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 | Hazard Symbols | N/A | |
Synonyms |
2-Propen-1-one, 2-cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)-; |
Article Data | 1 |
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