ChemSpider 2D Image | (2S)-2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-1,2-propanediol | C10H18O2

(2S)-2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-1,2-propanediol

  • Molecular FormulaC10H18O2
  • Average mass170.249 Da
  • Monoisotopic mass170.130676 Da
  • ChemSpider ID61442328

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-1,2-propanediol [ACD/IUPAC Name]
(2S)-2-[(1R)-4-Méthyl-3-cyclohexén-1-yl]-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 2-[(1R)-4-methyl-3-cyclohexen-1-yl]-, (2S)- [ACD/Index Name]
88764-51-6 [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: 282.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.5±6.0 kJ/mol
Flash Point: 131.2±15.0 °C
Index of Refraction: 1.510
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.35
ACD/KOC (pH 5.5): 245.82
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.35
ACD/KOC (pH 7.4): 245.82
Polar Surface Area: 40 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 162.5±3.0 cm3

Click to predict properties on the Chemicalize site


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