ChemSpider 2D Image | (2E)-2-{1-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methoxy]-1-oxo-2-propanyl}-2-octenoic acid | C23H30O5

(2E)-2-{1-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methoxy]-1-oxo-2-propanyl}-2-octenoic acid

  • Molecular FormulaC23H30O5
  • Average mass386.481 Da
  • Monoisotopic mass386.209320 Da
  • ChemSpider ID24718559

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{1-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methoxy]-1-oxo-2-propanyl}-2-octenoic acid [ACD/IUPAC Name]
(2E)-2-{1-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methoxy]-1-oxo-2-propanyl}-2-octensäure [German] [ACD/IUPAC Name]
Acide (2E)-2-{1-[(2-isopropényl-2,3-dihydro-1-benzofuran-5-yl)méthoxy]-1-oxo-2-propanyl}-2-octénoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hexylidene-3-methyl-, 4-[[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]methyl] ester, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519544/
XYLOESTER A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 183.6±23.6 °C
Index of Refraction: 1.538
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1012.70
ACD/KOC (pH 5.5): 2181.24
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 16.64
ACD/KOC (pH 7.4): 35.83
Polar Surface Area: 73 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 344.9±3.0 cm3

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