ChemSpider 2D Image | (1S,2R)-3,5,5-Trimethyl-4-[(1E)-1-propen-1-yl]-3-cyclohexene-1,2-diol | C12H20O2

(1S,2R)-3,5,5-Trimethyl-4-[(1E)-1-propen-1-yl]-3-cyclohexene-1,2-diol

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID44210879

  • 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

(1S,2R)-3,5,5-Trimethyl-4-[(1E)-1-propen-1-yl]-3-cyclohexen-1,2-diol [German] [ACD/IUPAC Name]
(1S,2R)-3,5,5-Trimethyl-4-[(1E)-1-propen-1-yl]-3-cyclohexene-1,2-diol [ACD/IUPAC Name]
(1S,2R)-3,5,5-Triméthyl-4-[(1E)-1-propén-1-yl]-3-cyclohexène-1,2-diol [French] [ACD/IUPAC Name]
3-Cyclohexene-1,2-diol, 3,5,5-trimethyl-4-[(1E)-1-propen-1-yl]-, (1S,2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 289.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.3±6.0 kJ/mol
Flash Point: 129.5±21.9 °C
Index of Refraction: 1.568
Molar Refractivity: 60.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.76
ACD/KOC (pH 5.5): 642.54
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.76
ACD/KOC (pH 7.4): 642.54
Polar Surface Area: 40 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 184.0±3.0 cm3

Click to predict properties on the Chemicalize site


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