ChemSpider 2D Image | (2E,3R,6R)-6-Isopropyl-2-(4-methoxybenzylidene)-3-methylcyclohexanone | C18H24O2

(2E,3R,6R)-6-Isopropyl-2-(4-methoxybenzylidene)-3-methylcyclohexanone

  • Molecular FormulaC18H24O2
  • Average mass272.382 Da
  • Monoisotopic mass272.177643 Da
  • ChemSpider ID21814823

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,3R,6R)-6-Isopropyl-2-(4-methoxybenzyliden)-3-methylcyclohexanon [German] [ACD/IUPAC Name]
(2E,3R,6R)-6-Isopropyl-2-(4-methoxybenzylidene)-3-methylcyclohexanone [ACD/IUPAC Name]
(2E,3R,6R)-6-Isopropyl-2-(4-méthoxybenzylidène)-3-méthylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-[(4-methoxyphenyl)methylene]-3-methyl-6-(1-methylethyl)-, (2E,3R,6R)- [ACD/Index Name]
6-Isopropyl-2-(4-methoxy-benzylidene)-3-methyl-cyclohexanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 412.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 172.4±19.2 °C
Index of Refraction: 1.540
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3619.08
ACD/KOC (pH 5.5): 12269.84
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3619.08
ACD/KOC (pH 7.4): 12269.84
Polar Surface Area: 26 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 266.8±3.0 cm3

Click to predict properties on the Chemicalize site


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