ChemSpider 2D Image | (6S)-6-[(2R)-2-Hydroxy-6-methyl-5-hepten-2-yl]-3-methyl-2-cyclohexen-1-one | C15H24O2

(6S)-6-[(2R)-2-Hydroxy-6-methyl-5-hepten-2-yl]-3-methyl-2-cyclohexen-1-one

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID21247927

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S)-6-[(2R)-2-Hydroxy-6-methyl-5-hepten-2-yl]-3-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(6S)-6-[(2R)-2-Hydroxy-6-methyl-5-hepten-2-yl]-3-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(6S)-6-[(2R)-2-Hydroxy-6-méthyl-5-heptén-2-yl]-3-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 6-[(1R)-1-hydroxy-1,5-dimethyl-4-hexen-1-yl]-3-methyl-, (6S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 368.9±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 157.4±14.7 °C
Index of Refraction: 1.504
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 236.14
ACD/KOC (pH 5.5): 1739.07
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 236.14
ACD/KOC (pH 7.4): 1739.07
Polar Surface Area: 37 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 237.4±3.0 cm3

Click to predict properties on the Chemicalize site


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