ChemSpider 2D Image | (1s,1'r,4S,4'r)-4-Pentyl-4'-[(1Z)-1-propen-1-yl]-1,1'-bi(cyclohexyl) | C20H36

(1s,1'r,4S,4'r)-4-Pentyl-4'-[(1Z)-1-propen-1-yl]-1,1'-bi(cyclohexyl)

  • Molecular FormulaC20H36
  • Average mass276.500 Da
  • Monoisotopic mass276.281708 Da
  • ChemSpider ID24957794

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1s,1'r,4S,4'r)-4-Pentyl-4'-[(1Z)-1-propen-1-yl]-1,1'-bi(cyclohexyl) [ACD/IUPAC Name]
(1s,1'r,4S,4'r)-4-Pentyl-4'-[(1Z)-1-propen-1-yl]-1,1'-bi(cyclohexyl) [German] [ACD/IUPAC Name]
(1s,1'r,4S,4'r)-4-Pentyl-4'-[(1Z)-1-propén-1-yl]-1,1'-bi(cyclohexyl) [French] [ACD/IUPAC Name]
1,1'-Bicyclohexyl, 4-pentyl-4'-[(1Z)-1-propen-1-yl]- [ACD/Index Name]
156139-85-4 [RN]
TRANS,TRANS-4''-PENTYL-4-PROPENYL-BICYCLOHEXYL
TRANS,TRANS-4-PENTYL-4-PROPENYL-BICYCLOHEXYL

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

Density: 0.9±0.1 g/cm3
Boiling Point: 357.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 57.9±0.8 kJ/mol
Flash Point: 163.2±13.6 °C
Index of Refraction: 1.509
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.59
ACD/LogD (pH 5.5): 8.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 727727.88
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 727727.88
Polar Surface Area: 0 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

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