ChemSpider 2D Image | 1-[(4R)-4-(Cyclohexylmethyl)-6-(isopropylsulfonyl)hexyl]-2-methoxybenzene | C23H38O3S

1-[(4R)-4-(Cyclohexylmethyl)-6-(isopropylsulfonyl)hexyl]-2-methoxybenzene

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID34504653
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(4R)-4-(Cyclohexylmethyl)-6-(isopropylsulfonyl)hexyl]-2-methoxybenzene [ACD/IUPAC Name]
1-[(4R)-4-(Cyclohexylméthyl)-6-(isopropylsulfonyl)hexyl]-2-méthoxybenzène [French] [ACD/IUPAC Name]
1-[(4R)-4-(Cyclohexylmethyl)-6-(isopropylsulfonyl)hexyl]-2-methoxybenzol [German] [ACD/IUPAC Name]
Benzene, 1-[(4R)-4-(cyclohexylmethyl)-6-[(1-methylethyl)sulfonyl]hexyl]-2-methoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 544.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 283.2±25.4 °C
Index of Refraction: 1.507
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16008.67
ACD/KOC (pH 5.5): 35568.41
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16008.67
ACD/KOC (pH 7.4): 35568.41
Polar Surface Area: 52 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 382.6±3.0 cm3

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