ChemSpider 2D Image | Methyl [(1S,6R)-3-methyl-6-(2-methyl-3-oxo-2-butanyl)-2-cyclohexen-1-yl]acetate | C15H24O3

Methyl [(1S,6R)-3-methyl-6-(2-methyl-3-oxo-2-butanyl)-2-cyclohexen-1-yl]acetate

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID44210766

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1S,6R)-3-Méthyl-6-(2-méthyl-3-oxo-2-butanyl)-2-cyclohexén-1-yl]acétate de méthyle [French] [ACD/IUPAC Name]
2-Cyclohexene-1-acetic acid, 6-(1,1-dimethyl-2-oxopropyl)-3-methyl-, methyl ester, (1S,6R)- [ACD/Index Name]
Methyl [(1S,6R)-3-methyl-6-(2-methyl-3-oxo-2-butanyl)-2-cyclohexen-1-yl]acetate [ACD/IUPAC Name]
Methyl-[(1S,6R)-3-methyl-6-(2-methyl-3-oxo-2-butanyl)-2-cyclohexen-1-yl]acetat [German] [ACD/IUPAC 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: 323.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 137.0±20.4 °C
Index of Refraction: 1.465
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 319.16
ACD/KOC (pH 5.5): 2157.61
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 319.16
ACD/KOC (pH 7.4): 2157.61
Polar Surface Area: 43 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 255.2±3.0 cm3

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