ChemSpider 2D Image | 1-{(3R,4R)-1-[(2,4,6-Triisopropylphenyl)sulfonyl]-3-vinyl-4-piperidinyl}ethanone | C24H37NO3S

1-{(3R,4R)-1-[(2,4,6-Triisopropylphenyl)sulfonyl]-3-vinyl-4-piperidinyl}ethanone

  • Molecular FormulaC24H37NO3S
  • Average mass419.621 Da
  • Monoisotopic mass419.249420 Da
  • ChemSpider ID30658808

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{(3R,4R)-1-[(2,4,6-Triisopropylphenyl)sulfonyl]-3-vinyl-4-piperidinyl}ethanon [German] [ACD/IUPAC Name]
1-{(3R,4R)-1-[(2,4,6-Triisopropylphenyl)sulfonyl]-3-vinyl-4-piperidinyl}ethanone [ACD/IUPAC Name]
1-{(3R,4R)-1-[(2,4,6-Triisopropylphényl)sulfonyl]-3-vinyl-4-pipéridinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3R,4R)-3-ethenyl-1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-4-piperidinyl]- [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: 503.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.5±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10216.74
ACD/KOC (pH 5.5): 25790.20
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10216.74
ACD/KOC (pH 7.4): 25790.20
Polar Surface Area: 63 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 387.1±3.0 cm3

Click to predict properties on the Chemicalize site


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