ChemSpider 2D Image | N'-[(E)-{(1S)-1-[(1S,2S)-2-Methoxycyclohexyl]-3,3-dimethylcyclopentyl}methylene]-4-methylbenzenesulfonohydrazide | C22H34N2O3S

N'-[(E)-{(1S)-1-[(1S,2S)-2-Methoxycyclohexyl]-3,3-dimethylcyclopentyl}methylene]-4-methylbenzenesulfonohydrazide

  • Molecular FormulaC22H34N2O3S
  • Average mass406.582 Da
  • Monoisotopic mass406.229004 Da
  • ChemSpider ID30658525

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonic acid, 4-methyl-, 2-[(1E)-[(1S)-1-[(1S,2S)-2-methoxycyclohexyl]-3,3-dimethylcyclopentyl]methylene]hydrazide [ACD/Index Name]
N'-[(E)-{(1S)-1-[(1S,2S)-2-Methoxycyclohexyl]-3,3-dimethylcyclopentyl}methylen]-4-methylbenzolsulfonohydrazid [German] [ACD/IUPAC Name]
N'-[(E)-{(1S)-1-[(1S,2S)-2-Methoxycyclohexyl]-3,3-dimethylcyclopentyl}methylene]-4-methylbenzenesulfonohydrazide [ACD/IUPAC Name]
N'-[(E)-{(1S)-1-[(1S,2S)-2-Méthoxycyclohexyl]-3,3-diméthylcyclopentyl}méthylène]-4-méthylbenzènesulfonohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.0±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10614.82
ACD/KOC (pH 5.5): 26505.36
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10592.48
ACD/KOC (pH 7.4): 26449.57
Polar Surface Area: 76 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 344.5±7.0 cm3

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