ChemSpider 2D Image | (1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3,4,5-trihydroxyphenyl)acrylate | C19H24O5

(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3,4,5-trihydroxyphenyl)acrylate

  • Molecular FormulaC19H24O5
  • Average mass332.391 Da
  • Monoisotopic mass332.162384 Da
  • ChemSpider ID23319825

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3,4,5-trihydroxyphenyl)acrylate [ACD/IUPAC Name]
(1S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoate
(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-(2E)-3-(3,4,5-trihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
(2E)-3-(3,4,5-Trihydroxyphényl)acrylate de (1S)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4,5-trihydroxyphenyl)-, (1S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, (2E)- [ACD/Index Name]
bornyl (3,4,5-trihydroxy)-cinnamate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL408621/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 177.7±23.6 °C
Index of Refraction: 1.617
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.25
ACD/KOC (pH 5.5): 2733.39
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 423.95
ACD/KOC (pH 7.4): 2608.45
Polar Surface Area: 87 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 254.7±5.0 cm3

Click to predict properties on the Chemicalize site


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