ChemSpider 2D Image | 2-{[1-(Bromomethyl)-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-5-ethylthiophene | C18H29BrS

2-{[1-(Bromomethyl)-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-5-ethylthiophene

  • Molecular FormulaC18H29BrS
  • Average mass357.392 Da
  • Monoisotopic mass356.117340 Da
  • ChemSpider ID71447386

More details:

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

2-{[1-(Brommethyl)-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-5-ethylthiophen [German] [ACD/IUPAC Name]
2-{[1-(Bromomethyl)-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-5-ethylthiophene [ACD/IUPAC Name]
2-{[1-(Bromométhyl)-4-(2-méthyl-2-propanyl)cyclohexyl]méthyl}-5-éthylthiophène [French] [ACD/IUPAC Name]
Thiophene, 2-[[1-(bromomethyl)-4-(1,1-dimethylethyl)cyclohexyl]methyl]-5-ethyl- [ACD/Index 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: 395.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 193.1±22.3 °C
Index of Refraction: 1.535
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 353331.59
ACD/KOC (pH 5.5): 325808.09
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 353331.59
ACD/KOC (pH 7.4): 325808.09
Polar Surface Area: 28 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 306.0±3.0 cm3

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