ChemSpider 2D Image | (2E,4Z,6E)-7-(8-Hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methyl-2,4,6-heptatrienoate | C21H21O5

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

  • Molecular FormulaC21H21O5
  • Average mass353.389 Da
  • Monoisotopic mass353.139435 Da
  • ChemSpider ID30785676

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2E,4Z,6E)-7-(8-Hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methyl-2,4,6-heptatrienoat [German] [ACD/IUPAC Name]
(2E,4Z,6E)-7-(8-Hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methyl-2,4,6-heptatrienoate [ACD/IUPAC Name]
(2E,4Z,6E)-7-(8-Hydroxy-1,2,3,4-tétrahydrodibenzo[b,d]furan-1-yl)-4-méthoxy-6-méthyl-2,4,6-heptatriénoate [French] [ACD/IUPAC Name]
2,4,6-Heptatrienoic acid, 4-methoxy-6-methyl-7-(1,2,3,4-tetrahydro-8-hydroxy-1-dibenzofuranyl)-, ion(1-), (2E,4Z,6E)- [ACD/Index Name]
(2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoate
cuevaene A(1-)
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of cuevaene A, obtained by deprotonation of the carboxy group. ChEBI CHEBI:75719

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

Density:
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:
Molar Refractivity:
#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: 83 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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