Found 3 results

Search term: IUZCDJYHMMWBBE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-[(2S)-2-Butanyl]-1-hydroxy-3-isobutyl-2(1H)-pyrazinone | C12H20N2O2

6-[(2S)-2-Butanyl]-1-hydroxy-3-isobutyl-2(1H)-pyrazinone

  • Molecular FormulaC12H20N2O2
  • Average mass224.299 Da
  • Monoisotopic mass224.152481 Da
  • ChemSpider ID34992867

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Pyrazinone, 1-hydroxy-6-[(1S)-1-methylpropyl]-3-(2-methylpropyl)- [ACD/Index Name]
6-[(2S)-2-Butanyl]-1-hydroxy-3-isobutyl-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
6-[(2S)-2-Butanyl]-1-hydroxy-3-isobutyl-2(1H)-pyrazinone [ACD/IUPAC Name]
6-[(2S)-2-Butanyl]-1-hydroxy-3-isobutyl-2(1H)-pyrazinone [French] [ACD/IUPAC Name]
22810-67-9 [RN]
490-02-8 [RN]
ASPERGILLIC ACID, (±)-
UNII-OP8S9B694G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 336.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 157.2±23.2 °C
Index of Refraction: 1.533
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.26
ACD/KOC (pH 5.5): 246.67
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 22.86
Polar Surface Area: 53 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 35.6±7.0 dyne/cm
Molar Volume: 203.9±7.0 cm3

Click to predict properties on the Chemicalize site


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