ChemSpider 2D Image | trans-4-[(2E,6S)-6-Carboxy-2-hepten-2-yl]cyclohexanecarboxylic acid | C15H24O4

trans-4-[(2E,6S)-6-Carboxy-2-hepten-2-yl]cyclohexanecarboxylic acid

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID24706516

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide trans-4-[(2E,6S)-6-carboxy-2-heptén-2-yl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[(1E,5S)-5-carboxy-1-methyl-1-hexen-1-yl]-, trans- [ACD/Index Name]
trans-4-[(2E,6S)-6-Carboxy-2-hepten-2-yl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[(2E,6S)-6-Carboxy-2-hepten-2-yl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494213/
hymenoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 450.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.7±6.0 kJ/mol
Flash Point: 240.3±23.3 °C
Index of Refraction: 1.513
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 6.80
ACD/KOC (pH 5.5): 50.46
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 240.3±3.0 cm3

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