ChemSpider 2D Image | (2S)-3-{[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}-1,2-propanediol | C13H26O3

(2S)-3-{[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}-1,2-propanediol

  • Molecular FormulaC13H26O3
  • Average mass230.344 Da
  • Monoisotopic mass230.188202 Da
  • ChemSpider ID24541618

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-3-{[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-{[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-{[(1R,2S,5R)-2-Isopropyl-5-méthylcyclohexyl]oxy}-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (2S)- [ACD/Index Name]
(2S)-3-[(2S,1R,5R)-5-methyl-2-(methylethyl)cyclohexyloxy]propane-1,2-diol
207792-35-6 [RN]
289-296-2 [EINECS]
3-((L-Menthyl)oxy)propane-1,2-diol
3-(2-Isopropyl-5-methyl-cyclohexyloxy)-propane-1,2-diol
UNII-KD6TZ2QICH

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

Density: 1.0±0.1 g/cm3
Boiling Point: 362.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.5±6.0 kJ/mol
Flash Point: 173.2±22.3 °C
Index of Refraction: 1.479
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.50
ACD/KOC (pH 5.5): 833.38
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.50
ACD/KOC (pH 7.4): 833.38
Polar Surface Area: 50 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 228.9±5.0 cm3

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