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41715-83-7

Basic Information
CAS No.: 41715-83-7
Name: 2-cyclopentyl-5-methoxy-6,7-dimethyl-2,3-dihydro-1H-inden-1-one
Article Data: 4
Molecular Structure:
Molecular Structure of 41715-83-7 (2-cyclopentyl-5-methoxy-6,7-dimethyl-2,3-dihydro-1H-inden-1-one)
Formula: C17H22O2
Molecular Weight: 258.36
Synonyms: LogP
Density: 1.104 g/cm3
Boiling Point: 416.6 °C at 760 mmHg
Flash Point: 184.1 °C
PSA: 26.30000
LogP: 3.85720
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Specification

The cas register number of 2-Cyclopentyl-2,3-dihydro-5-methoxy-6,7-dimethyl-1H-inden-1-one is 41715-83-7. The Systematic name about this chemical is 2-cyclopentyl-5-methoxy-6,7-dimethyl-2,3-dihydro-1H-inden-1-one.

Physical properties about 2-Cyclopentyl-2,3-dihydro-5-methoxy-6,7-dimethyl-1H-inden-1-one are: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.08; (4)ACD/LogD (pH 7.4): 5.08; (5)ACD/BCF (pH 5.5): 4286.73; (6)ACD/BCF (pH 7.4): 4286.73; (7)ACD/KOC (pH 5.5): 13850.61; (8)ACD/KOC (pH 7.4): 13850.61; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 75.98 cm3; (14)Molar Volume: 233.9 cm3; (15)Polarizability: 30.12x10-24cm3; (16)Surface Tension: 43.1 dyne/cm; (17)Enthalpy of Vaporization: 66.98 kJ/mol; (18)Vapour Pressure: 3.78E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc3c1c(CC(C1=O)C2CCCC2)cc(OC)c3C
(2)InChI: InChI=1/C17H22O2/c1-10-11(2)16-13(9-15(10)19-3)8-14(17(16)18)12-6-4-5-7-12/h9,12,14H,4-8H2,1-3H3
(3)InChIKey: PPAKRAKRBOSTRN-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C17H22O2/c1-10-11(2)16-13(9-15(10)19-3)8-14(17(16)18)12-6-4-5-7-12/h9,12,14H,4-8H2,1-3H3
(5)Std. InChIKey: PPAKRAKRBOSTRN-UHFFFAOYSA-N