ChemSpider 2D Image | Methyl 4,6-dihydroxy-2-methyl-3-[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoate | C24H34O4

Methyl 4,6-dihydroxy-2-methyl-3-[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoate

  • Molecular FormulaC24H34O4
  • Average mass386.524 Da
  • Monoisotopic mass386.245697 Da
  • ChemSpider ID113574298

More details:

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

4,6-Dihydroxy-2-méthyl-3-[(2Z,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,6-dihydroxy-2-methyl-3-[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-, methyl ester [ACD/Index Name]
Methyl 4,6-dihydroxy-2-methyl-3-[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoate [ACD/IUPAC Name]
Methyl-4,6-dihydroxy-2-methyl-3-[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoat [German] [ACD/IUPAC Name]
1417805-15-2 [RN]
albatrelin A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 539.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 176.9±23.6 °C
Index of Refraction: 1.543
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 7.84
ACD/BCF (pH 5.5): 536355.94
ACD/KOC (pH 5.5): 439080.63
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 484201.53
ACD/KOC (pH 7.4): 396385.13
Polar Surface Area: 67 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 368.1±3.0 cm3

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