ChemSpider 2D Image | (3R)-3-Methyl-2-hexanone | C7H14O

(3R)-3-Methyl-2-hexanone

  • Molecular FormulaC7H14O
  • Average mass114.186 Da
  • Monoisotopic mass114.104462 Da
  • ChemSpider ID24191816
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-Methyl-2-hexanon [German] [ACD/IUPAC Name]
(3R)-3-Methyl-2-hexanone [ACD/IUPAC Name]
(3R)-3-Méthyl-2-hexanone [French] [ACD/IUPAC Name]
2-Hexanone, 3-methyl-, (3R)- [ACD/Index Name]
(3R)-3-METHYLHEXAN-2-ONE
2-Hexanone, 3-methyl-, (3R)- (9CI)
355374-26-4 [RN]
MFCD18834721

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 143.5±0.0 °C at 760 mmHg
Vapour Pressure: 5.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 38.1±3.0 kJ/mol
Flash Point: 31.0±7.5 °C
Index of Refraction: 1.402
Molar Refractivity: 34.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.20
ACD/KOC (pH 5.5): 244.07
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.20
ACD/KOC (pH 7.4): 244.07
Polar Surface Area: 17 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 23.9±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Click to predict properties on the Chemicalize site






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