ChemSpider 2D Image | (4S)-1-Isopropyl-4-methyl-2-cyclohexene-1,4-diol | C10H18O2

(4S)-1-Isopropyl-4-methyl-2-cyclohexene-1,4-diol

  • Molecular FormulaC10H18O2
  • Average mass170.249 Da
  • Monoisotopic mass170.130676 Da
  • ChemSpider ID26593073

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-1-Isopropyl-4-methyl-2-cyclohexen-1,4-diol [German] [ACD/IUPAC Name]
(4S)-1-Isopropyl-4-methyl-2-cyclohexene-1,4-diol [ACD/IUPAC Name]
(4S)-1-Isopropyl-4-méthyl-2-cyclohexène-1,4-diol [French] [ACD/IUPAC Name]
2-Cyclohexene-1,4-diol, 1-methyl-4-(1-methylethyl)-, (1S)- [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: 263.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.2±6.0 kJ/mol
Flash Point: 119.1±21.9 °C
Index of Refraction: 1.512
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.07
ACD/KOC (pH 5.5): 219.16
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.07
ACD/KOC (pH 7.4): 219.16
Polar Surface Area: 40 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 162.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement