ChemSpider 2D Image | (2E,4E,6E)-7-[(1S)-8-Hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl]-4-methoxy-6-methyl-2,4,6-heptatrienoic acid | C21H22O5

(2E,4E,6E)-7-[(1S)-8-Hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl]-4-methoxy-6-methyl-2,4,6-heptatrienoic acid

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID59702217

  • 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

(2E,4E,6E)-7-[(1S)-8-Hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl]-4-methoxy-6-methyl-2,4,6-heptatrienoic acid [ACD/IUPAC Name]
(2E,4E,6E)-7-[(1S)-8-Hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl]-4-methoxy-6-methyl-2,4,6-heptatriensäure [German] [ACD/IUPAC Name]
2,4,6-Heptatrienoic acid, 4-methoxy-6-methyl-7-[(1S)-1,2,3,4-tetrahydro-8-hydroxy-1-dibenzofuranyl]-, (2E,4E,6E)- [ACD/Index Name]
Acide (2E,4E,6E)-7-[(1S)-8-hydroxy-1,2,3,4-tétrahydrodibenzo[b,d]furan-1-yl]-4-méthoxy-6-méthyl-2,4,6-heptatriénoïque [French] [ACD/IUPAC Name]
E'cuevaene C'

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 134.66
ACD/KOC (pH 5.5): 767.84
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 12.98
Polar Surface Area: 80 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

Click to predict properties on the Chemicalize site


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