ChemSpider 2D Image | (1s,1's,4s,4'R)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl 4-(trans-4-propylcyclohexyl)benzoate | C31H48O2

(1s,1's,4s,4'R)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl 4-(trans-4-propylcyclohexyl)benzoate

  • Molecular FormulaC31H48O2
  • Average mass452.712 Da
  • Monoisotopic mass452.365417 Da
  • ChemSpider ID29367775

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1s,1's,4s,4'R)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl 4-(trans-4-propylcyclohexyl)benzoate [ACD/IUPAC Name]
(1s,1's,4s,4'R)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl-4-(trans-4-propylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
4-(trans-4-Propylcyclohexyl)benzoate de (1s,1's,4s,4'R)-4'-propyl-1,1'-bi(cyclohexyl)-4-yle [French] [ACD/IUPAC Name]
86603-66-9 [RN]
Benzoic acid, 4-(trans-4-propylcyclohexyl)-, 4'-propyl[1,1'-bicyclohexyl]-4-yl ester [ACD/Index Name]
Trans,trans-4'-Propylbicyclohexyl-4-yl 4-(trans-4-propylcyclohexyl)-benzoate
TRANS,TRANS-4-PROPYLBICYCLOHEXYL-4-YL4-(TRANS-4-PROPYLCYCLOHEXYL)-BENZOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 553.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 243.4±10.7 °C
Index of Refraction: 1.530
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 12.44
ACD/LogD (pH 5.5): 10.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 447.0±5.0 cm3

Click to predict properties on the Chemicalize site


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