Found 1 result

Search term: UTIBHEBNILDQKX-LQOKPSQISA-M (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]benzoate | C47H69O3

4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]benzoate

  • Molecular FormulaC47H69O3
  • Average mass682.049 Da
  • Monoisotopic mass681.525208 Da
  • ChemSpider ID5256806

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]benzoat [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]benzoate [ACD/IUPAC Name]
4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octaméthyl-2,6,10,14,18,22,26,30-dotriacontaoctaén-1-yl]benzoate [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-, ion(1-) [ACD/Index Name]
3-Octaprenyl-4-hydroxybenzoate
4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoate
4-hydroxy-3-all-trans-octaprenylbenzoate
4-hydroxy-3-octaprenylbenzoate

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

CHEBI:1617 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3. ChEBI CHEBI:1617

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

Density:
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 428.5±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 17.76
ACD/LogD (pH 5.5): 14.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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