ChemSpider 2D Image | (1R,2R)-2-[(3E)-6-(3-Furyl)-3-methyl-3-hexen-1-yl]-1,3,3-trimethylcyclohexanol | C20H32O2

(1R,2R)-2-[(3E)-6-(3-Furyl)-3-methyl-3-hexen-1-yl]-1,3,3-trimethylcyclohexanol

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID35516829

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-[(3E)-6-(3-Furyl)-3-methyl-3-hexen-1-yl]-1,3,3-trimethylcyclohexanol [German] [ACD/IUPAC Name]
(1R,2R)-2-[(3E)-6-(3-Furyl)-3-methyl-3-hexen-1-yl]-1,3,3-trimethylcyclohexanol [ACD/IUPAC Name]
(1R,2R)-2-[(3E)-6-(3-Furyl)-3-méthyl-3-hexén-1-yl]-1,3,3-triméthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 2-[(3E)-6-(3-furanyl)-3-methyl-3-hexen-1-yl]-1,3,3-trimethyl-, (1R,2R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 387.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 188.4±20.9 °C
Index of Refraction: 1.494
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22461.09
ACD/KOC (pH 5.5): 45325.24
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22461.09
ACD/KOC (pH 7.4): 45325.24
Polar Surface Area: 33 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 317.3±3.0 cm3

Click to predict properties on the Chemicalize site


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