ChemSpider 2D Image | 1-[(1s,3R,5S)-Adamantan-1-yl]-1-propanone | C13H20O

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

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID26567194

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-(Tricyclo[3.3.1.13,7]dec-1-yl)propan-1-one
1-[(1s,3R,5S)-Adamantan-1-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[(1s,3R,5S)-Adamantan-1-yl]-1-propanone [ACD/IUPAC Name]
1-[(1s,3R,5S)-Adamantan-1-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 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: 276.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 119.2±6.1 °C
Index of Refraction: 1.527
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.34
ACD/KOC (pH 5.5): 1124.03
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.34
ACD/KOC (pH 7.4): 1124.03
Polar Surface Area: 17 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 182.0±3.0 cm3

Click to predict properties on the Chemicalize site


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