ChemSpider 2D Image | (1S,4S,5S)-5-Isopropyl-2-methyl-2-cyclohexene-1,4-diol | C10H18O2

(1S,4S,5S)-5-Isopropyl-2-methyl-2-cyclohexene-1,4-diol

  • Molecular FormulaC10H18O2
  • Average mass170.249 Da
  • Monoisotopic mass170.130676 Da
  • ChemSpider ID24211413

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4S,5S)-5-Isopropyl-2-methyl-2-cyclohexen-1,4-diol [German] [ACD/IUPAC Name]
(1S,4S,5S)-5-Isopropyl-2-methyl-2-cyclohexene-1,4-diol [ACD/IUPAC Name]
(1S,4S,5S)-5-Isopropyl-2-méthyl-2-cyclohexène-1,4-diol [French] [ACD/IUPAC Name]
2-Cyclohexene-1,4-diol, 2-methyl-5-(1-methylethyl)-, (1S,4S,5S)- [ACD/Index Name]
(1S,4S,5S)-5-isopropyl-2-methylcyclohex-2-ene-1,4-diol
2-Cyclohexene-1,4-diol, 2-methyl-5-(1-methylethyl)-, (1S,4S,5S)- (9CI)
676268-01-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 279.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.1±6.0 kJ/mol
Flash Point: 129.2±21.9 °C
Index of Refraction: 1.510
Molar Refractivity: 49.0±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): 1.60
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 176.69
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.68
ACD/KOC (pH 7.4): 176.69
Polar Surface Area: 40 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 163.8±3.0 cm3

Click to predict properties on the Chemicalize site


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