ChemSpider 2D Image | (2S,6R)-2-Methyl-6-[(1S)-2-methyl-2-cyclohexen-1-yl]-2H-pyran-3(6H)-one | C13H18O2

(2S,6R)-2-Methyl-6-[(1S)-2-methyl-2-cyclohexen-1-yl]-2H-pyran-3(6H)-one

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID23212410

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,6R)-2-Methyl-6-[(1S)-2-methyl-2-cyclohexen-1-yl]-2H-pyran-3(6H)-on [German] [ACD/IUPAC Name]
(2S,6R)-2-Methyl-6-[(1S)-2-methyl-2-cyclohexen-1-yl]-2H-pyran-3(6H)-one [ACD/IUPAC Name]
(2S,6R)-2-Méthyl-6-[(1S)-2-méthyl-2-cyclohexén-1-yl]-2H-pyran-3(6H)-one [French] [ACD/IUPAC Name]
2H-Pyran-3(6H)-one, 2-methyl-6-[(1S)-2-methyl-2-cyclohexen-1-yl]-, (2S,6R)- [ACD/Index Name]
(2S,6R)-2-Methyl-6-(2-methyl-cyclohex-2-enyl)-6H-pyran-3-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 325.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 141.4±21.4 °C
Index of Refraction: 1.507
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.41
ACD/KOC (pH 5.5): 929.43
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.41
ACD/KOC (pH 7.4): 929.43
Polar Surface Area: 26 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 198.7±3.0 cm3

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