ChemSpider 2D Image | (1S,2E,4R,9E)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl 4-hydroxybenzoate | C22H30O4

(1S,2E,4R,9E)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl 4-hydroxybenzoate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID34232606

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2E,4R,9E)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1S,2E,4R,9E)-4-Hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1S,2E,4R,9E)-4-hydroxy-2,5,5,9-tétraméthyl-2,9-cycloundécadién-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1S,2E,4R,9E)-4-hydroxy-2,5,5,9-tetramethyl-2,9-cycloundecadien-1-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 169.7±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 18074.30
ACD/KOC (pH 5.5): 38766.84
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 14935.40
ACD/KOC (pH 7.4): 32034.33
Polar Surface Area: 67 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 318.3±5.0 cm3

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