ChemSpider 2D Image | 5-(3,3-dimethylbut-1-yn-1-yl)-3-[N-(4-hydroxycyclohexyl)-4-methylcyclohexaneamido]thiophene-2-carboxylic acid | C25H35NO4S

5-(3,3-dimethylbut-1-yn-1-yl)-3-[N-(4-hydroxycyclohexyl)-4-methylcyclohexaneamido]thiophene-2-carboxylic acid

  • Molecular FormulaC25H35NO4S
  • Average mass445.615 Da
  • Monoisotopic mass445.228668 Da
  • ChemSpider ID24747392

More details:

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

1026785-59-0 [RN]
2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino]- [ACD/Index Name]
5-(3,3-Dimethyl-1-butin-1-yl)-3-{(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(3,3-Dimethyl-1-butyn-1-yl)-3-{(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
5-(3,3-dimethylbut-1-yn-1-yl)-3-[N-(4-hydroxycyclohexyl)-4-methylcyclohexaneamido]thiophene-2-carboxylic acid
Acide 5-(3,3-diméthyl-1-butyn-1-yl)-3-{(4-hydroxycyclohexyl)[(4-méthylcyclohexyl)carbonyl]amino}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1,1-Diethoxy-N,N-dimethylethanamine [ACD/IUPAC Name]
1026785-55-6 (or 1026785-59-0)
5-(3,3-dimethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamido)thiophene-2-carboxylic acid
5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.2±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 77.02
ACD/KOC (pH 5.5): 242.88
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 4.25
ACD/KOC (pH 7.4): 13.40
Polar Surface Area: 106 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 365.3±5.0 cm3

Click to predict properties on the Chemicalize site


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