ChemSpider 2D Image | (1R,3S,5s,7s)-5-Chloro-2-adamantanone | C10H13ClO

(1R,3S,5s,7s)-5-Chloro-2-adamantanone

  • Molecular FormulaC10H13ClO
  • Average mass184.663 Da
  • Monoisotopic mass184.065491 Da
  • ChemSpider ID29365692

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,5s,7s)-5-Chlor-2-adamantanon [German] [ACD/IUPAC Name]
(1R,3S,5s,7s)-5-Chloro-2-adamantanone [ACD/IUPAC Name]
(1R,3S,5s,7s)-5-Chloro-2-adamantanone [French] [ACD/IUPAC Name]
20098-17-3 [RN]
Tricyclo[3.3.1.13,7]decan-2-one, 5-chloro-, (1R,3S)- [ACD/Index Name]
(1R,3S,5s,7s)-5-chloroadamantan-2-one
5-Chloro-1-adamantanone
5-Chloro-2-Adamantone
5-Chloroadamantan-2-one
MFCD00798599 [MDL number]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 289.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 140.7±16.5 °C
Index of Refraction: 1.547
Molar Refractivity: 47.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.95
ACD/KOC (pH 5.5): 327.88
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.95
ACD/KOC (pH 7.4): 327.88
Polar Surface Area: 17 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 148.6±5.0 cm3

Click to predict properties on the Chemicalize site


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