ChemSpider 2D Image | (4aR,10aS)-4a,7-Dimethyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone | C16H20O

(4aR,10aS)-4a,7-Dimethyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone

  • Molecular FormulaC16H20O
  • Average mass228.329 Da
  • Monoisotopic mass228.151413 Da
  • ChemSpider ID26358535
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4aR,10aS)-4a,7-Dimethyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenon [German] [ACD/IUPAC Name]
(4aR,10aS)-4a,7-Dimethyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone [ACD/IUPAC Name]
(4aR,10aS)-4a,7-Diméthyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phénanthrénone [French] [ACD/IUPAC Name]
2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-4a,7-dimethyl-, (4aR,10aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 349.1±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 149.5±22.6 °C
Index of Refraction: 1.554
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 894.18
ACD/KOC (pH 5.5): 4510.55
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 894.18
ACD/KOC (pH 7.4): 4510.55
Polar Surface Area: 17 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 215.8±3.0 cm3

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