ChemSpider 2D Image | 5-(3,3-Dimethyl-1-butyn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazino}-2-thiophenecarboxylic acid | C21H30N2O3S

5-(3,3-Dimethyl-1-butyn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazino}-2-thiophenecarboxylic acid

  • Molecular FormulaC21H30N2O3S
  • Average mass390.539 Da
  • Monoisotopic mass390.197723 Da
  • ChemSpider ID28520289

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl]- [ACD/Index Name]
5-(3,3-Dimethyl-1-butin-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazino}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(3,3-Dimethyl-1-butyn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazino}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
5-(3,3-Dimethylbut-1-Yn-1-Yl)-3-{2,2-Dimethyl-1-[(Trans-4-Methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-Carboxylic Acid
Acide 5-(3,3-diméthyl-1-butyn-1-yl)-3-{2,2-diméthyl-1-[(trans-4-méthylcyclohexyl)carbonyl]hydrazino}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
0S3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.8±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 328.77
ACD/KOC (pH 5.5): 1153.90
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 6.84
ACD/KOC (pH 7.4): 24.01
Polar Surface Area: 89 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 327.4±5.0 cm3

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