ChemSpider 2D Image | 1-[(3aS,7aR)-3a,4,7,7a-Tetrahydro-1H-inden-6-yl]ethanone | C11H14O

1-[(3aS,7aR)-3a,4,7,7a-Tetrahydro-1H-inden-6-yl]ethanone

  • Molecular FormulaC11H14O
  • Average mass162.228 Da
  • Monoisotopic mass162.104462 Da
  • ChemSpider ID24193642
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[(3aS,7aR)-3a,4,7,7a-Tetrahydro-1H-inden-6-yl]ethanon [German] [ACD/IUPAC Name]
1-[(3aS,7aR)-3a,4,7,7a-Tetrahydro-1H-inden-6-yl]ethanone [ACD/IUPAC Name]
1-[(3aS,7aR)-3a,4,7,7a-Tétrahydro-1H-indén-6-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]- [ACD/Index Name]
1-((3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl)ethanone
79044-50-1 [RN]
Ethanone, 1-(3a,4,7,7a-tetrahydro-1H-inden-6-yl)-, cis- (9CI)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 270.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 111.3±22.3 °C
Index of Refraction: 1.525
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.28
ACD/KOC (pH 5.5): 866.86
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.28
ACD/KOC (pH 7.4): 866.86
Polar Surface Area: 17 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 156.5±3.0 cm3

Click to predict properties on the Chemicalize site






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