ChemSpider 2D Image | 4-(5-{[(3,3,5-Trimethylcyclohexyl)oxy]methyl}-3-thienyl)-3-butyn-1-ol | C18H26O2S

4-(5-{[(3,3,5-Trimethylcyclohexyl)oxy]methyl}-3-thienyl)-3-butyn-1-ol

  • Molecular FormulaC18H26O2S
  • Average mass306.463 Da
  • Monoisotopic mass306.165344 Da
  • ChemSpider ID38821535

More details:

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

3-Butyn-1-ol, 4-[5-[[(3,3,5-trimethylcyclohexyl)oxy]methyl]-3-thienyl]- [ACD/Index Name]
4-(5-{[(3,3,5-Trimethylcyclohexyl)oxy]methyl}-3-thienyl)-3-butin-1-ol [German] [ACD/IUPAC Name]
4-(5-{[(3,3,5-Trimethylcyclohexyl)oxy]methyl}-3-thienyl)-3-butyn-1-ol [ACD/IUPAC Name]
4-(5-{[(3,3,5-Triméthylcyclohexyl)oxy]méthyl}-3-thiényl)-3-butyn-1-ol [French] [ACD/IUPAC 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: 428.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.0±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3195.99
ACD/KOC (pH 5.5): 11225.13
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3195.99
ACD/KOC (pH 7.4): 11225.13
Polar Surface Area: 58 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

Click to predict properties on the Chemicalize site


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