Found 1 result

Search term: 44210754 (Found by CSID)
ChemSpider 2D Image | (2R,3E,5E)-2-Ethyl-4-methyl-6-(3-methyl-2-oxo-2H-pyran-6-yl)-3,5-hexadienoic acid | C15H18O4

(2R,3E,5E)-2-Ethyl-4-methyl-6-(3-methyl-2-oxo-2H-pyran-6-yl)-3,5-hexadienoic acid

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID44210754

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R,3E,5E)-2-Ethyl-4-methyl-6-(3-methyl-2-oxo-2H-pyran-6-yl)-3,5-hexadienoic acid [ACD/IUPAC Name]
(2R,3E,5E)-2-Ethyl-4-methyl-6-(3-methyl-2-oxo-2H-pyran-6-yl)-3,5-hexadiensäure [German] [ACD/IUPAC Name]
3,5-Hexadienoic acid, 2-ethyl-4-methyl-6-(3-methyl-2-oxo-2H-pyran-6-yl)-, (2R,3E,5E)- [ACD/Index Name]
Acide (2R,3E,5E)-2-éthyl-4-méthyl-6-(3-méthyl-2-oxo-2H-pyran-6-yl)-3,5-hexadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 491.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 184.3±14.7 °C
Index of Refraction: 1.585
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 40.28
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 219.9±3.0 cm3

Click to predict properties on the Chemicalize site


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