ChemSpider 2D Image | trans-4-[(2E)-4-(3,3-Dimethyl-2-oxiranyl)-1,4-dioxo-2-buten-2-yl]cyclohexanecarboxylic acid | C15H20O5

trans-4-[(2E)-4-(3,3-Dimethyl-2-oxiranyl)-1,4-dioxo-2-buten-2-yl]cyclohexanecarboxylic acid

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID28289258

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

Acide trans-4-[(2E)-4-(3,3-diméthyl-2-oxiranyl)-1,4-dioxo-2-butén-2-yl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[(1E)-3-(3,3-dimethyloxiranyl)-1-formyl-3-oxo-1-propen-1-yl]-, trans- [ACD/Index Name]
trans-4-[(2E)-4-(3,3-Dimethyl-2-oxiranyl)-1,4-dioxo-2-buten-2-yl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[(2E)-4-(3,3-Dimethyl-2-oxiranyl)-1,4-dioxo-2-buten-2-yl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
ganodermycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 177.4±22.2 °C
Index of Refraction: 1.527
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.23
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 229.0±3.0 cm3

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