ChemSpider 2D Image | (5S,6S)-6-(Dimethylamino)-5-methyl-4,4-diphenyl-3-heptanone | C22H29NO

(5S,6S)-6-(Dimethylamino)-5-methyl-4,4-diphenyl-3-heptanone

  • Molecular FormulaC22H29NO
  • Average mass323.472 Da
  • Monoisotopic mass323.224915 Da
  • ChemSpider ID23230765

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6S)-6-(Dimethylamino)-5-methyl-4,4-diphenyl-3-heptanon [German] [ACD/IUPAC Name]
(5S,6S)-6-(Dimethylamino)-5-methyl-4,4-diphenyl-3-heptanone [ACD/IUPAC Name]
(5S,6S)-6-(Diméthylamino)-5-méthyl-4,4-diphényl-3-heptanone [French] [ACD/IUPAC Name]
(5S,6S)-6-(dimethylamino)-5-methyl-4,4-diphenylheptan-3-one
3-Heptanone, 6-(dimethylamino)-5-methyl-4,4-diphenyl-, (5S,6S)- [ACD/Index Name]
(5R,6R) 6-Dimethylamino-5-methyl-4,4-diphenyl-heptan-3-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 129.3±19.8 °C
Index of Refraction: 1.534
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 9.06
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 47.02
ACD/KOC (pH 7.4): 184.11
Polar Surface Area: 20 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 323.4±3.0 cm3

Click to predict properties on the Chemicalize site


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