ChemSpider 2D Image | (3R)-3-Hydroxy-5-methyl-2-hexanone | C7H14O2

(3R)-3-Hydroxy-5-methyl-2-hexanone

  • Molecular FormulaC7H14O2
  • Average mass130.185 Da
  • Monoisotopic mass130.099380 Da
  • ChemSpider ID34983536

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxy-5-methyl-2-hexanon [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-5-methyl-2-hexanone [ACD/IUPAC Name]
(3R)-3-Hydroxy-5-méthyl-2-hexanone [French] [ACD/IUPAC Name]
2-Hexanone, 3-hydroxy-5-methyl-, (3R)- [ACD/Index Name]
163038-04-8 [RN]
3-HYDROXY-5-METHYL-2-HEXANONE AND 2-HYDROXY-5-METHYL-3-HEXANONE
3-HYDROXY-5-METHYL-HEXAN-2-ONE
UNII-04B83VY94W
UNII-30O068BKEE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 172.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.6±6.0 kJ/mol
Flash Point: 63.9±11.0 °C
Index of Refraction: 1.429
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 84.61
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 84.61
Polar Surface Area: 37 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 139.5±3.0 cm3

Click to predict properties on the Chemicalize site


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