ChemSpider 2D Image | (2E)-3-(4-Chlorophenyl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-2-naphthalenyl]-2-propen-1-one | C21H25ClO

(2E)-3-(4-Chlorophenyl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-2-naphthalenyl]-2-propen-1-one

  • Molecular FormulaC21H25ClO
  • Average mass328.876 Da
  • Monoisotopic mass328.159393 Da
  • ChemSpider ID30656684

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-3-(4-Chlorophényl)-1-[(2R,4aR,8aR)-4a,8-diméthyl-1,2,3,4,4a,5,6,8a-octahydro-2-naphtalényl]-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(4-Chlorophenyl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-2-naphthalenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Chlorphenyl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-2-naphthalinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-chlorophenyl)-1-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-naphthalenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 456.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 292.9±16.5 °C
Index of Refraction: 1.575
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 47009.01
ACD/KOC (pH 5.5): 76900.58
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 47009.01
ACD/KOC (pH 7.4): 76900.58
Polar Surface Area: 17 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

Click to predict properties on the Chemicalize site


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