ChemSpider 2D Image | 1-[(1s,3R,5S)-Adamantan-1-yl]ethanone | C12H18O

1-[(1s,3R,5S)-Adamantan-1-yl]ethanone

  • Molecular FormulaC12H18O
  • Average mass178.271 Da
  • Monoisotopic mass178.135757 Da
  • ChemSpider ID74999378

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[(1s,3R,5S)-Adamantan-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1s,3R,5S)-Adamantan-1-yl]ethanone [ACD/IUPAC Name]
1-[(1s,3R,5S)-Adamantan-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [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: 262.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 107.4±6.1 °C
Index of Refraction: 1.533
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.75
ACD/KOC (pH 5.5): 704.01
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.75
ACD/KOC (pH 7.4): 704.01
Polar Surface Area: 17 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 165.5±3.0 cm3

Click to predict properties on the Chemicalize site


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