ChemSpider 2D Image | (1S,2S,3S,6S)-3-Isopropyl-6-methyl-1,2-cyclohexanediol | C10H20O2

(1S,2S,3S,6S)-3-Isopropyl-6-methyl-1,2-cyclohexanediol

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID61692056

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3S,6S)-3-Isopropyl-6-methyl-1,2-cyclohexandiol [German] [ACD/IUPAC Name]
(1S,2S,3S,6S)-3-Isopropyl-6-methyl-1,2-cyclohexanediol [ACD/IUPAC Name]
(1S,2S,3S,6S)-3-Isopropyl-6-méthyl-1,2-cyclohexanediol [French] [ACD/IUPAC Name]
1,2-Cyclohexanediol, 3-methyl-6-(1-methylethyl)-, (1S,2S,3S,6S)- [ACD/Index Name]
42962-91-4 [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: 270.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.0±6.0 kJ/mol
Flash Point: 122.4±13.0 °C
Index of Refraction: 1.485
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.35
ACD/KOC (pH 5.5): 342.09
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.35
ACD/KOC (pH 7.4): 342.09
Polar Surface Area: 40 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 172.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement