ChemSpider 2D Image | 3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxybenzoate | C17H21O3

3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxybenzoate

  • Molecular FormulaC17H21O3
  • Average mass273.347 Da
  • Monoisotopic mass273.149628 Da
  • ChemSpider ID24603696

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxybenzoat [German] [ACD/IUPAC Name]
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxybenzoate [ACD/IUPAC Name]
3-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-4-hydroxybenzoate [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-hydroxy-, ion(1-) [ACD/Index Name]
3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxybenzoate
3-Geranyl-4-hydroxybenzoate
3-geranyl-4-hydroxybenzoate anion
3-geranyl-4-hydroxybenzoate(1-)
geranyl-4-hydroxybenzoate
geranyl-4-hydroxybenzoate*geranyl-p-hydroxybenzoate
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  • Miscellaneous

    • Chemical Class:

      A hydroxybenzoate having the hydroxy group at the 4-position together with a geranyl group at the 3-position; major species at pH 7.3. ChEBI CHEBI:60878

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

Density:
Boiling Point: 459.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 245.7±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 472.61
ACD/KOC (pH 5.5): 1435.05
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 10.12
ACD/KOC (pH 7.4): 30.73
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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