ChemSpider 2D Image | [(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-yl]methanol | C18H34O

[(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-yl]methanol

  • Molecular FormulaC18H34O
  • Average mass266.462 Da
  • Monoisotopic mass266.260956 Da
  • ChemSpider ID57422535

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

((trans,trans)-4'-Pentyl-[1,1'-bi(cyclohexan)]-4-yl)methanol
[(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-yl]methanol [German] [ACD/IUPAC Name]
[(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-yl]methanol [ACD/IUPAC Name]
[(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-yl]méthanol [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-methanol, 4'-pentyl- [ACD/Index Name]
82598-08-1 [RN]
DS-19165
MFCD06245464 [MDL number]
MFCD16036281
trans-4'-Pentyl-[1,1'-bi(cyclohexan)]-4-yl)methanol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 358.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 167.8±9.1 °C
Index of Refraction: 1.479
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36634.11
ACD/KOC (pH 5.5): 64329.85
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36634.11
ACD/KOC (pH 7.4): 64329.85
Polar Surface Area: 20 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 292.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement