ChemSpider 2D Image | 1-{(1S,2R,4aR,8S,8aR)-2-[(2S,3S)-2,3-Dimethyl-2-oxiranyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}ethanone | C18H28O2

1-{(1S,2R,4aR,8S,8aR)-2-[(2S,3S)-2,3-Dimethyl-2-oxiranyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}ethanone

  • Molecular FormulaC18H28O2
  • Average mass276.414 Da
  • Monoisotopic mass276.208923 Da
  • ChemSpider ID40256689

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-{(1S,2R,4aR,8S,8aR)-2-[(2S,3S)-2,3-Diméthyl-2-oxiranyl]-3,8-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl}éthanone [French] [ACD/IUPAC Name]
1-{(1S,2R,4aR,8S,8aR)-2-[(2S,3S)-2,3-Dimethyl-2-oxiranyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}ethanone [ACD/IUPAC Name]
1-{(1S,2R,4aR,8S,8aR)-2-[(2S,3S)-2,3-Dimethyl-2-oxiranyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[(1S,2R,4aR,8S,8aR)-2-[(2S,3S)-2,3-dimethyloxiranyl]-1,2,4a,5,6,7,8,8a-octahydro-3,8-dimethyl-1-naphthalenyl]- [ACD/Index Name]
Trichobotrysin F

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

Density: 1.0±0.1 g/cm3
Boiling Point: 362.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 138.9±21.4 °C
Index of Refraction: 1.493
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1173.29
ACD/KOC (pH 5.5): 5478.72
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1173.29
ACD/KOC (pH 7.4): 5478.72
Polar Surface Area: 30 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 277.3±3.0 cm3

Click to predict properties on the Chemicalize site


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