ChemSpider 2D Image | (Trans,trans)-4-methoxy-4'-propyl-1,1'-bi(cyclohexane) | C16H30O

(Trans,trans)-4-methoxy-4'-propyl-1,1'-bi(cyclohexane)

  • Molecular FormulaC16H30O
  • Average mass238.409 Da
  • Monoisotopic mass238.229660 Da
  • ChemSpider ID18560738
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1r,1's,4r,4'S)-4-Methoxy-4'-propyl-1,1'-bi(cyclohexyl) [ACD/IUPAC Name]
(1r,1's,4r,4'S)-4-Methoxy-4'-propyl-1,1'-bi(cyclohexyl) [German] [ACD/IUPAC Name]
(1r,1's,4r,4'S)-4-Méthoxy-4'-propyl-1,1'-bi(cyclohexyl) [French] [ACD/IUPAC Name]
(Trans,trans)-4-methoxy-4'-propyl-1,1'-bi(cyclohexane)
1,1'-Bicyclohexyl, 4-methoxy-4'-propyl- [ACD/Index Name]
97398-80-6 [RN]
(trans,trans)-4-Methoxy-4'-propyl-1,1'-bicyclohexyl
DS-3250
MFCD12761281
trans,trans-4-Methoxy-4-n-propyl-1,1-bicyclohexyl
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 294.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 127.2±14.2 °C
Index of Refraction: 1.471
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12640.48
ACD/KOC (pH 5.5): 30035.24
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12640.48
ACD/KOC (pH 7.4): 30035.24
Polar Surface Area: 9 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 31.5±5.0 dyne/cm
Molar Volume: 263.5±5.0 cm3

Click to predict properties on the Chemicalize site






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