ChemSpider 2D Image | (5S)-5-Methyl-5-[(1R)-4-methyl-3-cyclohexen-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate | C12H16NO3

(5S)-5-Methyl-5-[(1R)-4-methyl-3-cyclohexen-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate

  • Molecular FormulaC12H16NO3
  • Average mass222.261 Da
  • Monoisotopic mass222.113571 Da
  • ChemSpider ID21475754

  • Charge - Charge

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5S)-5-Methyl-5-[(1R)-4-methyl-3-cyclohexen-1-yl]-4,5-dihydro-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
(5S)-5-Methyl-5-[(1R)-4-methyl-3-cyclohexen-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
(5S)-5-Méthyl-5-[(1R)-4-méthyl-3-cyclohexén-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate [French] [ACD/IUPAC Name]
3-Isoxazolecarboxylic acid, 4,5-dihydro-5-methyl-5-[(1R)-4-methyl-3-cyclohexen-1-yl]-, ion(1-), (5S)- [ACD/Index Name]

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

Density:
Boiling Point: 337.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.8±6.0 kJ/mol
Flash Point: 157.9±30.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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